C122H106F16N26O8S — CID 160686525
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-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 160686525) has the molecular formula C122H106F16N26O8S and a molecular weight of 2400.40 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-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-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-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160686525 |
| Molecular Formula | C122H106F16N26O8S |
| Molecular Weight | 2400.40 g/mol |
| Exact Mass | 2398.82 |
| 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-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-pyrrolidin-1-yl-3-pyridinyl)-N-[4-(trifluoromethyl)phenyl]-1H-indazole-3-carboxamide |
| SMILES | CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.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/C27H30N6O4S.C26H22F5N5O.C25H20F5N5O.C24H20F3N5O.C20H14F3N5O/c1-17(2)38(36,37)25-6-4-21(15-29-25)30-27(35)26-23-12-19(3-5-24(23)31-32-26)20-11-18(13-28-14-20)16-33-9-7-22(34)8-10-33;27-25(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/h3-6,11-15,17,22,34H,7-10,16H2,1-2H3,(H,30,35)(H,31,32);1-6,11-14H,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 | ROVJNORWFKOXAU-UHFFFAOYSA-N |
| XLogP | 25.25 |
| TPSA | 459.59 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2400.40 |
| LogP ≤ 5 | 25.25 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |