C111H108F2N24O9 — CID 162174622
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 162174622) has the molecular formula C111H108F2N24O9 and a molecular weight of 1960.24 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162174622 |
| Molecular Formula | C111H108F2N24O9 |
| Molecular Weight | 1960.24 g/mol |
| Exact Mass | 1958.87 |
| IUPAC Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C29H28F2N6O2.C28H28N6O2.C27H26N6O3.C27H26N6O2/c30-29(31)9-11-37(12-10-29)17-18-13-21(16-32-15-18)20-7-8-23-22(14-20)26(36-35-23)28(39)34-25-4-2-1-3-24(25)33-27(38)19-5-6-19;35-27(18-8-9-18)30-24-6-2-3-7-25(24)31-28(36)26-22-15-19(10-11-23(22)32-33-26)20-14-21(17-29-16-20)34-12-4-1-5-13-34;34-26(17-5-6-17)29-23-3-1-2-4-24(23)30-27(35)25-21-14-18(7-8-22(21)31-32-25)19-13-20(16-28-15-19)33-9-11-36-12-10-33;34-26(17-7-8-17)29-23-5-1-2-6-24(23)30-27(35)25-21-14-18(9-10-22(21)31-32-25)19-13-20(16-28-15-19)33-11-3-4-12-33/h1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,33,38)(H,34,39)(H,35,36);2-3,6-7,10-11,14-18H,1,4-5,8-9,12-13H2,(H,30,35)(H,31,36)(H,32,33);1-4,7-8,13-17H,5-6,9-12H2,(H,29,34)(H,30,35)(H,31,32);1-2,5-6,9-10,13-17H,3-4,7-8,11-12H2,(H,29,34)(H,30,35)(H,31,32) |
| InChIKey | ZOFNONXSKSWSOB-UHFFFAOYSA-N |
| XLogP | 19.56 |
| TPSA | 421.27 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1960.24 |
| LogP ≤ 5 | 19.56 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 21 |