C241H236F6N60O33S10 — CID 159117465
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159117465) has the molecular formula C241H236F6N60O33S10 and a molecular weight of 4935.58 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159117465 |
| Molecular Formula | C241H236F6N60O33S10 |
| Molecular Weight | 4935.58 g/mol |
| Exact Mass | 4931.57 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-methylsulfonyl-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-methylsulfonyl-3-pyridinyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methylsulfonyl-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.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)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(CN5CCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1 |
| InChI | InChI=1S/C26H26F2N6O3S.C25H24F2N6O3S.C25H26N6O4S.C24H22F2N6O3S.C24H24N6O4S.2C24H24N6O3S.C23H22N6O4S.2C23H22N6O3S/c1-16(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;1-37(35,36)22-5-3-19(14-29-22)30-24(34)23-20-11-17(2-4-21(20)31-32-23)18-10-16(12-28-13-18)15-33-8-6-25(26,27)7-9-33;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;1-36(34,35)21-5-3-18(12-28-21)29-23(33)22-19-9-16(2-4-20(19)30-31-22)17-8-15(10-27-11-17)13-32-7-6-24(25,26)14-32;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;1-34(32,33)22-7-5-19(14-26-22)27-24(31)23-20-11-17(4-6-21(20)28-29-23)18-10-16(12-25-13-18)15-30-8-2-3-9-30;1-34(32,33)22-8-6-18(14-26-22)27-24(31)23-20-12-16(5-7-21(20)28-29-23)17-11-19(15-25-13-17)30-9-3-2-4-10-30;1-34(31,32)21-5-3-17(13-25-21)26-23(30)22-19-11-15(2-4-20(19)27-28-22)16-10-18(14-24-12-16)29-6-8-33-9-7-29;1-33(31,32)21-6-4-18(13-25-21)26-23(30)22-19-10-16(3-5-20(19)27-28-22)17-9-15(11-24-12-17)14-29-7-2-8-29;1-33(31,32)21-7-5-17(13-25-21)26-23(30)22-19-11-15(4-6-20(19)27-28-22)16-10-18(14-24-12-16)29-8-2-3-9-29/h3-6,9-13,16H,7-8,14-15H2,1-2H3,(H,31,35)(H,32,33);2-5,10-14H,6-9,15H2,1H3,(H,30,34)(H,31,32);2-5,10-14,20,32H,6-9,15H2,1H3,(H,28,33)(H,29,30);2-5,8-12H,6-7,13-14H2,1H3,(H,29,33)(H,30,31);2-5,10-14H,6-9,15H2,1H3,(H,27,31)(H,28,29);4-7,10-14H,2-3,8-9,15H2,1H3,(H,27,31)(H,28,29);5-8,11-15H,2-4,9-10H2,1H3,(H,27,31)(H,28,29);2-5,10-14H,6-9H2,1H3,(H,26,30)(H,27,28);3-6,9-13H,2,7-8,14H2,1H3,(H,26,30)(H,27,28);4-7,10-14H,2-3,8-9H2,1H3,(H,26,30)(H,27,28) |
| InChIKey | KFGPAARGBTUAQC-UHFFFAOYSA-N |
| XLogP | 32.47 |
| TPSA | 1248.09 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 73 |
| Rotatable Bonds | 58 |
| Heavy Atoms | 350 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4935.58 |
| LogP ≤ 5 | 32.47 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 73 |