C92H70F5N21O6 — CID 158882586
N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 158882586) has the molecular formula C92H70F5N21O6 and a molecular weight of 1660.70 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-pyridin-4-yl-5-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158882586 |
| Molecular Formula | C92H70F5N21O6 |
| Molecular Weight | 1660.70 g/mol |
| Exact Mass | 1659.57 |
| IUPAC Name | N-[6-(2-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide;N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-5-pyridin-3-yl-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(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccc(Oc2ccccc2F)nc1)c1n[nH]c2ccc(-c3cccnc3)cc12.O=C(Nc1ccncc1)c1n[nH]c2ccc(-c3cncc(C(F)(F)F)c3)cc12 |
| InChI | InChI=1S/C25H26N6O.2C24H16FN5O2.C19H12F3N5O/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;25-17-4-1-5-19(12-17)32-22-9-7-18(14-27-22)28-24(31)23-20-11-15(6-8-21(20)29-30-23)16-3-2-10-26-13-16;25-19-5-1-2-6-21(19)32-22-10-8-17(14-27-22)28-24(31)23-18-12-15(7-9-20(18)29-30-23)16-4-3-11-26-13-16;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/h2-10,15-16H,11-14,17H2,1H3,(H,27,32)(H,28,29);2*1-14H,(H,28,31)(H,29,30);1-10H,(H,26,27)(H,23,25,28) |
| InChIKey | JDFDLIPUJYUJMI-UHFFFAOYSA-N |
| XLogP | 18.32 |
| TPSA | 346.29 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 124 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1660.70 |
| LogP ≤ 5 | 18.32 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |