C127H130F4N30O17S5 — CID 159258965
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159258965) has the molecular formula C127H130F4N30O17S5 and a molecular weight of 2584.96 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159258965 |
| Molecular Formula | C127H130F4N30O17S5 |
| Molecular Weight | 2584.96 g/mol |
| Exact Mass | 2582.88 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C27H28F2N6O3S.C26H26F2N6O3S.C25H26N6O4S.C25H26N6O3S.C24H24N6O4S/c1-17(2)39(37,38)24-6-4-21(15-31-24)32-26(36)25-22-12-19(3-5-23(22)33-34-25)20-11-18(13-30-14-20)16-35-9-7-27(28,29)8-10-35;1-16(2)38(36,37)23-6-4-20(13-30-23)31-25(35)24-21-10-18(3-5-22(21)32-33-24)19-9-17(11-29-12-19)14-34-8-7-26(27,28)15-34;1-36(34,35)23-5-3-19(14-27-23)28-25(33)24-21-11-17(2-4-22(21)29-30-24)18-10-16(12-26-13-18)15-31-8-6-20(32)7-9-31;1-16(2)35(33,34)23-8-6-19(14-27-23)28-25(32)24-21-12-17(5-7-22(21)29-30-24)18-11-20(15-26-13-18)31-9-3-4-10-31;1-35(32,33)22-5-3-19(14-26-22)27-24(31)23-20-11-17(2-4-21(20)28-29-23)18-10-16(12-25-13-18)15-30-6-8-34-9-7-30/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);3-6,9-13,16H,7-8,14-15H2,1-2H3,(H,31,35)(H,32,33);2-5,10-14,20,32H,6-9,15H2,1H3,(H,28,33)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30);2-5,10-14H,6-9,15H2,1H3,(H,27,31)(H,28,29) |
| InChIKey | KWGLUOWVQKCZCR-UHFFFAOYSA-N |
| XLogP | 18.18 |
| TPSA | 634.16 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 183 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2584.96 |
| LogP ≤ 5 | 18.18 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 37 |