C95H76F16N20O4 — CID 158869513
5-(5-amino-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 158869513) has the molecular formula C95H76F16N20O4 and a molecular weight of 1865.76 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158869513 |
| Molecular Formula | C95H76F16N20O4 |
| Molecular Weight | 1865.76 g/mol |
| Exact Mass | 1864.61 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3c2)c1.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)cc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12 |
| InChI | InChI=1S/C26H22F5N5O.C25H20F5N5O.C24H20F3N5O.C20H14F3N5O/c27-25(28)7-9-36(10-8-25)15-16-11-18(14-32-13-16)17-1-6-22-21(12-17)23(35-34-22)24(37)33-20-4-2-19(3-5-20)26(29,30)31;26-24(27)7-8-35(14-24)13-15-9-17(12-31-11-15)16-1-6-21-20(10-16)22(34-33-21)23(36)32-19-4-2-18(3-5-19)25(28,29)30;25-24(26,27)17-4-6-18(7-5-17)29-23(33)22-20-12-15(3-8-21(20)30-31-22)16-11-19(14-28-13-16)32-9-1-2-10-32;21-20(22,23)13-2-4-15(5-3-13)26-19(29)18-16-8-11(1-6-17(16)27-28-18)12-7-14(24)10-25-9-12/h1-6,11-14H,7-10,15H2,(H,33,37)(H,34,35);1-6,9-12H,7-8,13-14H2,(H,32,36)(H,33,34);3-8,11-14H,1-2,9-10H2,(H,29,33)(H,30,31);1-10H,24H2,(H,26,29)(H,27,28) |
| InChIKey | JBQXZAQSAKFLNQ-UHFFFAOYSA-N |
| XLogP | 21.84 |
| TPSA | 318.42 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 135 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1865.76 |
| LogP ≤ 5 | 21.84 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 16 |