C208H215F6N51O10 — CID 159536071
N-(6-cyano-3-pyridinyl)-5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 159536071) has the molecular formula C208H215F6N51O10 and a molecular weight of 3703.34 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(6-cyano-3-pyridinyl)-5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159536071 |
| Molecular Formula | C208H215F6N51O10 |
| Molecular Weight | 3703.34 g/mol |
| Exact Mass | 3700.78 |
| IUPAC Name | N-(6-cyano-3-pyridinyl)-5-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-cyano-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;ethane;N-(4-ethoxyphenyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-methyl-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | CC.CCOc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cc1.CN(C)CCN(C)c1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.C[C@@H]1CCC[C@H](C)N1Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)nc4)c3c2)c1.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.Cc1ccncc1NC(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cn1.O=C(Nc1ccc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12.O=C(Nc1ccc(C(F)(F)F)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C29H36N8O.C27H27N7O.C27H29N5O2.C25H23F3N6O.C25H23N7O.C25H26N6O.C24H21F3N6O2.C24H24N6O.C2H6/c1-35(2)13-14-36(3)27-10-8-24(19-31-27)32-29(38)28-25-16-22(7-9-26(25)33-34-28)23-15-21(17-30-18-23)20-37-11-5-4-6-12-37;1-17-4-3-5-18(2)34(17)16-19-10-21(14-29-13-19)20-6-9-25-24(11-20)26(33-32-25)27(35)31-23-8-7-22(12-28)30-15-23;1-2-34-23-9-7-22(8-10-23)29-27(33)26-24-15-20(6-11-25(24)30-31-26)21-14-19(16-28-17-21)18-32-12-4-3-5-13-32;26-25(27,28)22-7-5-19(14-30-22)31-24(35)23-20-11-17(4-6-21(20)32-33-23)18-10-16(12-29-13-18)15-34-8-2-1-3-9-34;26-12-20-5-6-21(15-28-20)29-25(33)24-22-11-18(4-7-23(22)30-31-24)19-10-17(13-27-14-19)16-32-8-2-1-3-9-32;1-17-7-8-26-15-23(17)28-25(32)24-21-12-19(5-6-22(21)29-30-24)20-11-18(13-27-14-20)16-31-9-3-2-4-10-31;25-24(26,27)21-4-2-18(13-29-21)30-23(34)22-19-10-16(1-3-20(19)31-32-22)17-9-15(11-28-12-17)14-33-5-7-35-8-6-33;1-16-6-7-25-14-22(16)27-24(31)23-20-11-18(4-5-21(20)28-29-23)19-10-17(12-26-13-19)15-30-8-2-3-9-30;1-2/h7-10,15-19H,4-6,11-14,20H2,1-3H3,(H,32,38)(H,33,34);6-11,13-15,17-18H,3-5,16H2,1-2H3,(H,31,35)(H,32,33);6-11,14-17H,2-5,12-13,18H2,1H3,(H,29,33)(H,30,31);4-7,10-14H,1-3,8-9,15H2,(H,31,35)(H,32,33);4-7,10-11,13-15H,1-3,8-9,16H2,(H,29,33)(H,30,31);5-8,11-15H,2-4,9-10,16H2,1H3,(H,28,32)(H,29,30);1-4,9-13H,5-8,14H2,(H,30,34)(H,31,32);4-7,10-14H,2-3,8-9,15H2,1H3,(H,27,31)(H,28,29);1-2H3/t;17-,18+;;;;;;; |
| InChIKey | MDPIXSFUGVAIGF-CPVCCESNSA-N |
| XLogP | 37.72 |
| TPSA | 754.03 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 275 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3703.34 |
| LogP ≤ 5 | 37.72 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 45 |