C126H108F13N27O7 — CID 158552841
N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-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 158552841) has the molecular formula C126H108F13N27O7 and a molecular weight of 2359.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-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 | N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-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 | 158552841 |
| Molecular Formula | C126H108F13N27O7 |
| Molecular Weight | 2359.41 g/mol |
| Exact Mass | 2357.87 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-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 | N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cc1.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.C26H24N6O2.C25H20F5N5O.C25H22N6O2.C24H20F3N5O/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;27-13-17-1-4-21(5-2-17)29-26(34)25-23-12-19(3-6-24(23)30-31-25)20-11-18(14-28-15-20)16-32-9-7-22(33)8-10-32;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;26-13-17-1-4-21(5-2-17)28-25(32)24-22-12-19(3-6-23(22)29-30-24)20-11-18(14-27-15-20)16-31-7-9-33-10-8-31;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/h1-6,11-14H,7-10,15H2,(H,33,37)(H,34,35);1-6,11-12,14-15,22,33H,7-10,16H2,(H,29,34)(H,30,31);1-6,9-12H,7-8,13-14H2,(H,32,36)(H,33,34);1-6,11-12,14-15H,7-10,16H2,(H,28,32)(H,29,30);3-8,11-14H,1-2,9-10H2,(H,29,33)(H,30,31) |
| InChIKey | HPXWVRVONVUDLB-UHFFFAOYSA-N |
| XLogP | 24.65 |
| TPSA | 446.59 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2359.41 |
| LogP ≤ 5 | 24.65 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 24 |