C82H63F7N20O4 — CID 159493920
5-(5-fluoro-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-pyridazin-4-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159493920) has the molecular formula C82H63F7N20O4 and a molecular weight of 1525.53 g/mol. Its IUPAC name is 5-(5-fluoro-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-pyridazin-4-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-fluoro-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-pyridazin-4-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159493920 |
| Molecular Formula | C82H63F7N20O4 |
| Molecular Weight | 1525.53 g/mol |
| Exact Mass | 1524.52 |
| IUPAC Name | 5-(5-fluoro-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;5-pyridazin-4-yl-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CN1CCN(Cc2ccc(NC(=O)c3n[nH]c4ccc(-c5cccnc5)cc34)cc2)CC1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3ccnnc3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(F)c3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc(C(F)(F)F)c3)cc12 |
| InChI | InChI=1S/C25H26N6O.2C19H12F3N5O.C19H13FN4O/c1-30-11-13-31(14-12-30)17-18-4-7-21(8-5-18)27-25(32)24-22-15-19(6-9-23(22)28-29-24)20-3-2-10-26-16-20;20-19(21,22)13-2-4-14(5-3-13)25-18(28)17-15-9-11(1-6-16(15)26-27-17)12-7-8-23-24-10-12;20-19(21,22)13-7-12(9-24-10-13)11-1-2-16-15(8-11)17(27-26-16)18(28)25-14-3-5-23-6-4-14;20-14-8-13(10-21-11-14)12-6-7-17-16(9-12)18(24-23-17)19(25)22-15-4-2-1-3-5-15/h2-10,15-16H,11-14,17H2,1H3,(H,27,32)(H,28,29);1-10H,(H,25,28)(H,26,27);1-10H,(H,26,27)(H,23,25,28);1-11H,(H,22,25)(H,23,24) |
| InChIKey | LYNSDGOJAKWXRT-UHFFFAOYSA-N |
| XLogP | 16.22 |
| TPSA | 314.94 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 113 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1525.53 |
| LogP ≤ 5 | 16.22 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 16 |