C130H119F4N29O10 — CID 157161323
5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 157161323) has the molecular formula C130H119F4N29O10 and a molecular weight of 2323.57 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157161323 |
| Molecular Formula | C130H119F4N29O10 |
| Molecular Weight | 2323.57 g/mol |
| Exact Mass | 2321.96 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[2-(cyclopropanecarbonylamino)phenyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4NC(=O)C4CC4)c3c2)c1.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.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 |
| InChI | InChI=1S/C29H28F2N6O2.C28H26F2N6O2.C27H26N6O2.C23H20N6O2.C23H19N5O2/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;29-28(30)9-10-36(16-28)15-17-11-20(14-31-13-17)19-7-8-22-21(12-19)25(35-34-22)27(38)33-24-4-2-1-3-23(24)32-26(37)18-5-6-18;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;24-16-9-15(11-25-12-16)14-7-8-18-17(10-14)21(29-28-18)23(31)27-20-4-2-1-3-19(20)26-22(30)13-5-6-13;29-22(14-7-8-14)25-19-5-1-2-6-20(19)26-23(30)21-17-12-15(9-10-18(17)27-28-21)16-4-3-11-24-13-16/h1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,33,38)(H,34,39)(H,35,36);1-4,7-8,11-14,18H,5-6,9-10,15-16H2,(H,32,37)(H,33,38)(H,34,35);1-2,5-6,9-10,13-17H,3-4,7-8,11-12H2,(H,29,34)(H,30,35)(H,31,32);1-4,7-13H,5-6,24H2,(H,26,30)(H,27,31)(H,28,29);1-6,9-14H,7-8H2,(H,25,29)(H,26,30)(H,27,28) |
| InChIKey | AMKGUMQIRXIQRQ-UHFFFAOYSA-N |
| XLogP | 23.38 |
| TPSA | 534.59 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2323.57 |
| LogP ≤ 5 | 23.38 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 24 |