Apixaban
CAS Number: 503612-47-3
Molecular Mass: 459.5 g/mol
Formula: C25H25N5O4
Smiles: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1
Synonymes:
Apixaban, 503612-47-3, Eliquis, BMS-562247, BMS-562247-01, 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, BMS 562247-01, apixabanum, 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 3Z9Y7UWC1J, CHEBI:72296, DTXSID80436500, BMS562247, 1H-Pyrazolo(3,4-c)pyridine-3-carboxamide,4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-, 1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4-c)pyridine-3-carboxamide, RefChem:5558, ELIQUIS 30-Day Starter Pack, B01AF02, DTXCID60387324, 1H-Pyrazolo(3,4-c)pyridine-3-carboxamide, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxo-1-piperidinyl)phenyl)-, MFCD11977295, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide, Apixaban 13CD3, C25H25N5O4, CHEMBL231779, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide, Apixaban [USAN], GG2, Eliquis (TN), UNII-3Z9Y7UWC1J, Apixaban (JAN/USAN/INN), Apixaban [USAN:INN:JAN], HSDB 8223, Apixaban (Standard), BMS 562247, APIXABAN [INN], APIXABAN [JAN], APIXABAN [MI], APIXABAN [VANDF], APIXABAN [MART.], APIXABAN [WHO-DD], APIXABAN [EMA EPAR], Apixaban - Bio-X trade mark, MLS006010026, SCHEMBL118023, APIXABAN [ORANGE BOOK], GTPL6390, orb1307573, orb3141365, Apixaban,BMS-562247-01, BDBM19023, EX-A048, 2p16, QNZCBYKSOIHPEH-UHFFFAOYSA-N, GLXC-90058, HMS3655O07, HMS5079A18, Apixaban (BMS 562247-01), EBC-11355, HY-50667R, MSK159567, NSC784102, s1593, Apixaban (BMS 562247-01)?, AKOS005146204, CCG-229675, CS-0401, DB06605, FM61539, ME-0152, NSC-784102, PB10976, NCGC00346555-01, NCGC00346555-02, NCGC00346555-05, NCGC00346555-08, 1-(4-Methoxy-phenyl)-7-oxo-6-[4-(2-oxo-piperidin-1-yl)-phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylic acid amide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide, AC-26301, BM164185, HY-50667, SMR004676529, SY097159, NS00014946, SW220177-1, D03213, AB01565766_02, AR-270/43507990, F793053, Q414462, BRD-K67121414-001-02-5, BRD-K67121414-001-03-3, Z195110238, 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXOPIPERIDIN-1-YL)PHENYI)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE, 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo(3,4c)pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo piperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxamide, 1-(4-Methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide, 1H-PYRAZOLO(3,4-C)PYRIDINE-3-CARBOXAMIDE, 4,5,6,7-TETRAHYDRO-1-( 4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-
Bioactivity: -
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| Acetone | 288.15 | - | 1.511 | [118] |
| Acetone | 293.15 | - | 1.723 | [118] |
| Acetone | 298.15 | - | 1.991 | [118] |
| Acetone | 303.15 | - | 2.326 | [118] |
| Acetone | 308.15 | - | 2.672 | [118] |
| Acetone | 313.15 | - | 3.101 | [118] |
| Acetone | 318.15 | - | 3.522 | [118] |
| Acetone | 323.15 | - | 4.003 | [118] |
| Acetone | 328.15 | - | 4.477 | [118] |
| Ethanol | 288.15 | - | 0.8903 | [118] |
| Ethanol | 293.15 | - | 1.131 | [118] |
| Ethanol | 298.15 | - | 1.41 | [118] |
| Ethanol | 303.15 | - | 1.718 | [118] |
| Ethanol | 308.15 | - | 2.075 | [118] |
| Ethanol | 313.15 | - | 2.544 | [118] |
| Ethanol | 318.15 | - | 3.08 | [118] |
| Ethanol | 323.15 | - | 3.612 | [118] |
| Ethanol | 328.15 | - | 4.333 | [118] |
| Isopropanol | 288.15 | - | 0.3696 | [118] |
| Isopropanol | 293.15 | - | 0.461 | [118] |
| Isopropanol | 298.15 | - | 0.5945 | [118] |
| Isopropanol | 303.15 | - | 0.7884 | [118] |
| Isopropanol | 308.15 | - | 0.9892 | [118] |
| Isopropanol | 313.15 | - | 1.26 | [118] |
| Isopropanol | 318.15 | - | 1.585 | [118] |
| Isopropanol | 323.15 | - | 1.918 | [118] |
| Isopropanol | 328.15 | - | 2.331 | [118] |
| Methanol | 288.15 | - | 3.738 | [118] |
| Methanol | 293.15 | - | 4.72 | [118] |
| Methanol | 298.15 | - | 5.975 | [118] |
| Methanol | 303.15 | - | 7.503 | [118] |
| Methanol | 308.15 | - | 9.386 | [118] |
| Methanol | 313.15 | - | 11.54 | [118] |
| Methanol | 318.15 | - | 14.14 | [118] |
| Methanol | 323.15 | - | 17.14 | [118] |
| Methanol | 328.15 | - | 20.45 | [118] |
| Water | 288.15 | - | 0.2467 | [118] |
| Water | 293.15 | - | 0.2882 | [118] |
| Water | 298.15 | - | 0.3535 | [118] |
| Water | 303.15 | - | 0.4239 | [118] |
| Water | 308.15 | - | 0.4947 | [118] |
| Water | 313.15 | - | 0.5834 | [118] |
| Water | 318.15 | - | 0.6928 | [118] |
| Water | 323.15 | - | 0.8034 | [118] |
| Water | 328.15 | - | 0.9361 | [118] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 2960.4032 |
| PMI2 | 10255.4912 |
| PMI3 | 12792.2478 |
| NPR1 | 0.2314 |
| NPR2 | 0.8017 |
| RadiusOfGyration | 5.3198 |
| InertialShapeFactor | 0.0003 |
| Eccentricity | 0.9729 |
| Asphericity | 0.4622 |
| SpherocityIndex | 0.0720 |
| PBF | 0.7332 |