Pipemidic acid
CAS Number: 51940-44-4
Molecular Mass: 303.32 g/mol
Formula: C14H17N5O3
Smiles: CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
Synonymes:
Pipemidic acid, pipemidic acid, 51940-44-4, Pipedac, Pipemid, Acido pipemidico, Acide pipemidique, Acidum pipemidicum, pipeacid, uropimid, Filtrax, Pipemidate, Pipurin, Tractur, Urosten, Uroval, Nuril, Pi-coli, 8-Ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic acid, Memento 400, PIPEMIDIC ACID ANHYDROUS, LT12J5HVR8, NSC-758160, DTXSID3023479, CHEBI:75250, 5,8-Dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)pyrido(2,3-d)pyrimidine-6-carboxylic acid, piperamic acid, Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)-, DTXCID803479, 8-ethyl-5-oxo-2-(piperazin-1-yl)-5H,8H-pyrido[2,3-d]pyrimidine-6-carboxylic acid, Acid, Pipemidic, Acid, Piperamic, 8-ethyl-5-oxo-2-piperazin-1-ylpyrido(6,5-d)pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-piperazin-1-ylpyrido[6,5-d]pyrimidine-6-carboxylic acid, 8-ethyl-5-oxo-2-(piperazin-1-yl)-5H,8H-pyrido(2,3-d)pyrimidine-6-carboxylic acid, RefChem:174379, J01MB04, 257-530-2, Pipram, Dolcol, Pipemidic acid hydrate, MLS000028608, Uromidin, Palin, 8-ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, Pyrido[2,3-d]pyrimidine-6-carboxylicacid, 8-ethyl-5,8-dihydro-5-oxo-2-(1-piperazinyl)-, NCGC00016866-01, Pipemidic acid (INN), SMR000058711, CAS-51940-44-4, 8-ethyl-5-oxo-2-piperazin-1-yl-pyrido[2,3-d]pyrimidine-6-carboxylic acid, PIPEMIDIC ACID [INN], Pipemidicacid, Acido pipemidico [Spanish], 8-ethyl-5-oxo-2-piperazinyl-8-hydropyridino[2,3-d]pyrimidine-6-carboxylic acid, 1489 RB, RB 1489, Acide pipemidique [INN-French], Acido pipemidico [INN-Spanish], Acidum pipemidicum [INN-Latin], SR-01000000245, EINECS 257-530-2, UNII-LT12J5HVR8, BRN 0626575, Pipemidic, pipemidic-acid, CCRIS 8517, Pipemidic acid [INN:BAN:DCF], MFCD00057291, Nuril (TN), Spectrum_001387, Opera_ID_1142, Prestwick0_000897, Prestwick1_000897, Prestwick2_000897, Prestwick3_000897, Spectrum2_001185, Spectrum3_001487, Spectrum4_000155, Spectrum5_001214, Epitope ID:613452, Acide ethyl-8 oxo-5 piperazinyl-2 dihydro-5,8 pyrido(2,3-d)pyrimidine-6 carboxylique [French], PIPEMIDIC ACID [MI], BSPBio_000714, BSPBio_003073, KBioGR_000630, KBioSS_001867, PIPEMIDIC ACID [JAN], BIDD:GT0126, CHEMBL30116, DivK1c_000651, SCHEMBL135557, SPECTRUM1502024, SPBio_001229, SPBio_002923, BPBio1_000786, orb1310652, orb3025188, PIPEMIDIC ACID [MART.], PIPEMIDIC ACID [WHO-DD], SCHEMBL29351712, GTPL12774, HMS502A13, KBio1_000651, KBio2_001867, KBio2_004435, KBio2_007003, KBio3_002573, MSK5762, NINDS_000651, GLXC-21416, HMS1570D16, HMS1921F04, HMS2097D16, HMS3714D16, Pharmakon1600-01502024, HY-B1210, Tox21_110655, NSC758160, s5051, SBB012523, STK686262, AKOS005599752, Tox21_110655_1, CCG-220897, CS-4838, DB13823, FP52512, NSC 758160, Acide ethyl-8 oxo-5 piperazinyl-2 dihydro-5,8 pyrido(2,3-d)pyrimidine-6 carboxylique, IDI1_000651, Pyrido(2,3-d)pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-5-oxo-2-(1-piperazinyl)-, SMP1_000242, NCGC00016866-02, NCGC00016866-03, NCGC00016866-04, NCGC00016866-05, NCGC00016866-06, NCGC00016866-07, NCGC00016866-08, NCGC00016866-11, NCGC00023999-03, NCGC00023999-04, NCGC00178314-01, NCGC00178314-02, AS-47690, DA-76909, ST072200, SBI-0051703.P002, AB00490004, NS00000503, D08379, F15437, AB00052258_14, Q754986, SR-01000000245-2, SR-01000000245-3, SR-01000000245-4, BRD-K08999871-001-05-5, BRD-K08999871-001-13-9, BRD-K08999871-213-01-5, -ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(1-piperazinyl)-5,8-dihydro-8-ethyl-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 2-(1-piperazinyl)-8-ethyl-5,8-dihydro-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 5,8-Dihydro-8-ethyl-2-(1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid, 5,8-dihydro-8-ethyl-2-(1-piperazinyl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid, 7-(1-Piperazinyl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic acid, 8-ethyl-5-oxo-2-piperazin-1-yl-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid, 8-ETHYL-5-OXO-2-PIPERAZINO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID, 8-Ethyl-5-oxo-2-(piperazin-1-yl)-5,8-dihydropyrido- [2,3-d]pyrimidine-6-carboxylic acid trihydrate
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Octanol | 293.15 | - | 0.0018 | [170] |
| 1-Octanol | 298.15 | - | 0.0023 | [170] |
| 1-Octanol | 303.15 | - | 0.00299 | [170] |
| 1-Octanol | 308.15 | - | 0.0038 | [170] |
| 1-Octanol | 313.15 | - | 0.0049 | [170] |
| 1-Octanol | 318.15 | - | 0.0061 | [170] |
| 1-Octanol | 323.15 | - | 0.0076 | [170] |
| 1-Octanol | 328.15 | - | 0.0093 | [170] |
| 1-Octanol | 333.15 | - | 0.0112 | [170] |
| Water | 293.15 | - | 0.3101 | [169] |
| Water | 298.15 | - | 0.3433 | [169] |
| Water | 303.15 | - | 0.3849 | [169] |
| Water | 308.15 | - | 0.4394 | [169] |
| Water | 313.15 | - | 0.505 | [169] |
| Water | 318.15 | - | 0.5662 | [169] |
| Water | 323.15 | - | 0.6375 | [169] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 727.2687 |
| PMI2 | 3680.5605 |
| PMI3 | 4298.4171 |
| NPR1 | 0.1692 |
| NPR2 | 0.8563 |
| RadiusOfGyration | 3.7883 |
| InertialShapeFactor | 0.0012 |
| Eccentricity | 0.9856 |
| Asphericity | 0.5767 |
| SpherocityIndex | 0.1005 |
| PBF | 0.5475 |