C258H269F7N60O31S9 — CID 157401472
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;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-(trifluoromethyl)-3-pyridinyl]-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-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-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 157401472) has the molecular formula C258H269F7N60O31S9 and a molecular weight of 5127.97 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;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-(trifluoromethyl)-3-pyridinyl]-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-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-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-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;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-(trifluoromethyl)-3-pyridinyl]-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-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-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 | 157401472 |
| Molecular Formula | C258H269F7N60O31S9 |
| Molecular Weight | 5127.97 g/mol |
| Exact Mass | 5123.87 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;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-(trifluoromethyl)-3-pyridinyl]-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-(morpholin-4-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-piperidin-1-yl-3-pyridinyl)-N-(6-propan-2-ylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-propan-2-ylsulfonyl-3-pyridinyl)-5-[5-(pyrrolidin-1-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)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CC(C)S(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1.O=C(Nc1ccc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C27H28F2N6O3S.C27H30N6O4S.C27H30N6O3S.C26H28N6O4S.2C26H28N6O3S.C25H26N6O4S.2C25H26N6O3S.C24H19F5N6O/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;1-17(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;1-18(2)37(35,36)25-9-7-22(16-29-25)30-27(34)26-23-13-20(6-8-24(23)31-32-26)21-12-19(14-28-15-21)17-33-10-4-3-5-11-33;1-17(2)37(34,35)24-6-4-21(15-28-24)29-26(33)25-22-12-19(3-5-23(22)30-31-25)20-11-18(13-27-14-20)16-32-7-9-36-10-8-32;1-17(2)36(34,35)24-8-6-21(15-28-24)29-26(33)25-22-12-19(5-7-23(22)30-31-25)20-11-18(13-27-14-20)16-32-9-3-4-10-32;1-17(2)36(34,35)24-9-7-20(15-28-24)29-26(33)25-22-13-18(6-8-23(22)30-31-25)19-12-21(16-27-14-19)32-10-4-3-5-11-32;1-16(2)36(33,34)23-6-4-19(14-27-23)28-25(32)24-21-12-17(3-5-22(21)29-30-24)18-11-20(15-26-13-18)31-7-9-35-10-8-31;1-16(2)35(33,34)23-7-5-20(14-27-23)28-25(32)24-21-11-18(4-6-22(21)29-30-24)19-10-17(12-26-13-19)15-31-8-3-9-31;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;25-23(26)5-6-35(13-23)12-14-7-16(10-30-9-14)15-1-3-19-18(8-15)21(34-33-19)22(36)32-17-2-4-20(31-11-17)24(27,28)29/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,32,36)(H,33,34);3-6,11-15,17,22,34H,7-10,16H2,1-2H3,(H,30,35)(H,31,32);6-9,12-16,18H,3-5,10-11,17H2,1-2H3,(H,30,34)(H,31,32);3-6,11-15,17H,7-10,16H2,1-2H3,(H,29,33)(H,30,31);5-8,11-15,17H,3-4,9-10,16H2,1-2H3,(H,29,33)(H,30,31);6-9,12-17H,3-5,10-11H2,1-2H3,(H,29,33)(H,30,31);3-6,11-16H,7-10H2,1-2H3,(H,28,32)(H,29,30);4-7,10-14,16H,3,8-9,15H2,1-2H3,(H,28,32)(H,29,30);5-8,11-16H,3-4,9-10H2,1-2H3,(H,28,32)(H,29,30);1-4,7-11H,5-6,12-13H2,(H,32,36)(H,33,34) |
| InChIKey | BNFHAWVLNRNGQG-UHFFFAOYSA-N |
| XLogP | 40.46 |
| TPSA | 1213.95 Ų |
| H-Bond Donors | 21 |
| H-Bond Acceptors | 71 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 365 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5127.97 |
| LogP ≤ 5 | 40.46 |
| H-Bond Donors ≤ 5 | 21 |
| H-Bond Acceptors ≤ 10 | 71 |