Palbociclib

Molecular Mass: 447.5 g/mol

Formula: C₂₄H₂₉N₇O₂

Smiles: CC(=O)c1c(C)c2cnc(Nc3ccc(N4CCNCC4)cn3)nc2n(C2CCCC2)c1=O

Synonymes:

Palbociclib, 571190-30-2, Ibrance, PD-0332991, PD0332991, PD 0332991, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one, G9ZF61LE7G, PD 332991, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-ylpyridin-2-ylamino)-8H-pyrido(2,3-d)pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one, CHEBI:85993, DTXSID40972590, 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(1-piperazinyl)-2-pyridinyl)amino)-, Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]-, palbociclibum, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERAZIN-1-YL)PYRIDIN-2-YL)AMINO)-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)pyrido(2,3-d)pyrimidin-7(8H)-one, 6-acetyl-8-cyclopentyl-5-methyl-2-((5-piperazin-1-ylpyridin-2-yl)amino)pyrido(6,5-d)pyrimidin-7-one, 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[6,5-d]pyrimidin-7-one, RefChem:6097, DTXCID80207212, L01XE33, PD 991, UNII-G9ZF61LE7G, MFCD11840850, 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Palbociclib(PD0332991), C24H29N7O2, LQQ, Palbociclib free base, 2euf, Palbociclib [USAN], PD-332991, 571190-30-2 (free base), Palbociclib [USAN:INN], Palbociclib?, Palbociclib base, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridinyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-{[5-(1-piperazinyl)-2-pyridinyl]amino}pyrido[2,3-d]pyrimidin-7(8H)-one, Ibrance (TN), Kinome_3823, Kinome_3824, Palbociclib (Standard), PALBOCICLIB [MI], 6-acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8h-pyrido[2,3-d]pyrimidin-7-one hydrochloride, PALBOCICLIB [INN], PALBOCICLIB [JAN], Palbociclib (JAN/USAN), PALBOCICLIB [WHO-DD], 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrido[2,3-d]pyrimidin-7-one, 6-acetyl-8-cyclopentyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one, SCHEMBL462630, BDBM6309, CHEMBL189963, GTPL7380, orb1307454, Palbociclib - Bio-X trade mark, SCHEMBL29362383, SCHEMBL29379411, SCHEMBL30584526, EX-A408, PALBOCICLIB [ORANGE BOOK], 2euf, PD 0332991, AHJRHEGDXFFMBM-UHFFFAOYSA-N, GLXC-90113, HMS3265M09, HMS3265M10, HMS3265N09, HMS3265N10, HMS3744G13, HMS5087D18, EBC-17116, HY-50767R, NSC758247, NSC772256, NSC800815, s4482, AKOS022205241, DB09073, FA65120, NSC-758247, NSC-772256, NSC-800815, SB40426, SDCCGSBI-0646936.P001, Pyrido-[2,3-d]-pyrimidin-7-one 43, NCGC00263129-01, NCGC00263129-08, NCGC00263129-21, NCGC00263129-22, 6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperazin-1-yl-2-pyridyl)amino]pyrido[2,3-d]pyrimidin-7-one, AC-25485, AS-17016, BP-43645, BP-44037, BP166224, HY-50767, SY026143, 571190-30-2(DMSO), NS00069617, D10372, EN300-18531248, F794410, PD 0332991,PD0332991, BRD-K51313569-001-01-1, BRD-K51313569-001-07-8, BRD-K51313569-003-03-3, Q15269707, Z2216894329, 6-acetyl-8-cyclopentyl-5-methyl-2-(5-(piperazin-1-yl)pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-(5-piperazin-1-yl-pyridin-2-ylamino)-8H-pyrido[2,3-d]pyrimidin-7-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(1-piperazinyl)-2-pyridyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one, 6-Acetyl-8-cyclopentyl-5-methyl-2-[[5-(piperazin-1-yl)-pyridin-2-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one, 8-cyclopentyl-6-acetyl-5-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Acetone	293.15	-	0.3488	[295]
Acetone	298.15	-	0.4427	[295]
Acetone	303.15	-	0.5474	[295]
Acetone	308.15	-	0.6627	[295]
Acetone	313.15	-	0.8144	[295]
Acetone	318.15	-	0.9669	[295]
Acetone	323.15	-	1.159	[295]
Acetone	328.15	-	1.374	[295]
Acetone	333.15	-	1.596	[295]
Anisole	293.15	-	0.05432	[295]
Anisole	298.15	-	0.0577	[295]
Anisole	303.15	-	0.0615	[295]
Anisole	308.15	-	0.0677	[295]
Anisole	313.15	-	0.07222	[295]
Anisole	318.15	-	0.07501	[295]
Anisole	323.15	-	0.07895	[295]
Anisole	328.15	-	0.08019	[295]
Anisole	333.15	-	0.0857	[295]
Chlorobenzene	293.15	-	0.1743	[295]
Chlorobenzene	298.15	-	0.2312	[295]
Chlorobenzene	303.15	-	0.3005	[295]
Chlorobenzene	308.15	-	0.3863	[295]
Chlorobenzene	313.15	-	0.5	[295]
Chlorobenzene	318.15	-	0.6341	[295]
Chlorobenzene	323.15	-	0.8057	[295]
Chlorobenzene	328.15	-	1.014	[295]
Chlorobenzene	333.15	-	1.274	[295]
Dimethyl sulfoxide	293.15	-	0.4141	[295]
Dimethyl sulfoxide	298.15	-	0.4907	[295]
Dimethyl sulfoxide	303.15	-	0.6009	[295]
Dimethyl sulfoxide	308.15	-	0.7486	[295]
Dimethyl sulfoxide	313.15	-	0.9011	[295]
Dimethyl sulfoxide	318.15	-	1.058	[295]
Dimethyl sulfoxide	323.15	-	1.215	[295]
Dimethyl sulfoxide	328.15	-	1.5	[295]
Dimethyl sulfoxide	333.15	-	1.833	[295]
Dimethylformamide	293.15	-	0.3584	[295]
Dimethylformamide	298.15	-	0.4771	[295]
Dimethylformamide	303.15	-	0.5904	[295]
Dimethylformamide	308.15	-	0.7506	[295]
Dimethylformamide	313.15	-	0.9418	[295]
Dimethylformamide	318.15	-	1.142	[295]
Dimethylformamide	323.15	-	1.388	[295]
Dimethylformamide	328.15	-	1.645	[295]
Dimethylformamide	333.15	-	1.955	[295]
Ethanol	293.15	-	0.1618	[295]
Ethanol	298.15	-	0.2029	[295]
Ethanol	303.15	-	0.2298	[295]
Ethanol	308.15	-	0.2723	[295]
Ethanol	313.15	-	0.309	[295]
Ethanol	318.15	-	0.3587	[295]
Ethanol	323.15	-	0.415	[295]
Ethanol	328.15	-	0.4724	[295]
Ethanol	333.15	-	0.5328	[295]
Ethyl acetate	293.15	-	0.06586	[295]
Ethyl acetate	298.15	-	0.0727	[295]
Ethyl acetate	303.15	-	0.09295	[295]
Ethyl acetate	308.15	-	0.108	[295]
Ethyl acetate	313.15	-	0.137	[295]
Ethyl acetate	318.15	-	0.1603	[295]
Ethyl acetate	323.15	-	0.1938	[295]
Ethyl acetate	328.15	-	0.2233	[295]
Ethyl acetate	333.15	-	0.2585	[295]
Methanol	293.15	-	0.122	[295]
Methanol	298.15	-	0.157	[295]
Methanol	303.15	-	0.2151	[295]
Methanol	308.15	-	0.2756	[295]
Methanol	313.15	-	0.3699	[295]
Methanol	318.15	-	0.4844	[295]
Methanol	323.15	-	0.6082	[295]
Methanol	328.15	-	0.7567	[295]
Methanol	333.15	-	0.9478	[295]
Tetrahydrofuran	293.15	-	0.3933	[295]
Tetrahydrofuran	298.15	-	0.537	[295]
Tetrahydrofuran	303.15	-	0.7807	[295]
Tetrahydrofuran	308.15	-	1.02	[295]
Tetrahydrofuran	313.15	-	1.345	[295]
Tetrahydrofuran	318.15	-	1.759	[295]
Tetrahydrofuran	323.15	-	2.214	[295]
Tetrahydrofuran	328.15	-	2.823	[295]
Tetrahydrofuran	333.15	-	3.643	[295]
Toluene	293.15	-	0.1987	[295]
Toluene	298.15	-	0.2375	[295]
Toluene	303.15	-	0.2824	[295]
Toluene	308.15	-	0.3318	[295]
Toluene	313.15	-	0.3889	[295]
Toluene	318.15	-	0.4515	[295]
Toluene	323.15	-	0.5268	[295]
Toluene	328.15	-	0.6166	[295]
Toluene	333.15	-	0.7176	[295]
Water	293.15	-	0.233	[295]
Water	298.15	-	0.2923	[295]
Water	303.15	-	0.3339	[295]
Water	308.15	-	0.42	[295]
Water	313.15	-	0.5201	[295]
Water	318.15	-	0.6199	[295]
Water	323.15	-	0.7388	[295]
Water	328.15	-	0.8888	[295]
Water	333.15	-	1.06	[295]
m-Xylene	293.15	-	0.1362	[295]
m-Xylene	298.15	-	0.1493	[295]
m-Xylene	303.15	-	0.1886	[295]
m-Xylene	308.15	-	0.231	[295]
m-Xylene	313.15	-	0.294	[295]
m-Xylene	318.15	-	0.348	[295]
m-Xylene	323.15	-	0.4208	[295]
m-Xylene	328.15	-	0.5158	[295]
m-Xylene	333.15	-	0.5995	[295]
o-Xylene	293.15	-	0.119	[295]
o-Xylene	298.15	-	0.1336	[295]
o-Xylene	303.15	-	0.1576	[295]
o-Xylene	308.15	-	0.1783	[295]
o-Xylene	313.15	-	0.2026	[295]
o-Xylene	318.15	-	0.2309	[295]
o-Xylene	323.15	-	0.2586	[295]
o-Xylene	328.15	-	0.2924	[295]
o-Xylene	333.15	-	0.3448	[295]

Molecule 3D descriptors

Descriptor	Value
PMI1	1749.0906
PMI2	12072.8733
PMI3	13546.5125
NPR1	0.1291
NPR2	0.8912
RadiusOfGyration	5.5296
InertialShapeFactor	0.0005
Eccentricity	0.9916
Asphericity	0.6620
SpherocityIndex	0.0592
PBF	0.6383