C123H111F6N27O8 — CID 158170368
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158170368) has the molecular formula C123H111F6N27O8 and a molecular weight of 2209.41 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158170368 |
| Molecular Formula | C123H111F6N27O8 |
| Molecular Weight | 2209.41 g/mol |
| Exact Mass | 2207.90 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-methyl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-methyl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12 |
| InChI | InChI=1S/C25H22F3N5O.C25H26N6O2.C25H19N5O2.C24H20F3N5O.C24H24N6O2/c26-20-3-1-2-4-22(20)30-24(34)23-19-12-17(5-6-21(19)31-32-23)18-11-16(13-29-14-18)15-33-9-7-25(27,28)8-10-33;1-16-2-4-20(14-27-16)28-25(33)24-22-11-18(3-5-23(22)29-30-24)19-10-17(12-26-13-19)15-31-8-6-21(32)7-9-31;1-16-7-9-19(14-27-16)28-25(31)24-22-12-17(8-10-23(22)29-30-24)18-11-21(15-26-13-18)32-20-5-3-2-4-6-20;25-19-3-1-2-4-21(19)29-23(33)22-18-10-16(5-6-20(18)30-31-22)17-9-15(11-28-12-17)13-32-8-7-24(26,27)14-32;1-16-2-4-20(14-26-16)27-24(31)23-21-11-18(3-5-22(21)28-29-23)19-10-17(12-25-13-19)15-30-6-8-32-9-7-30/h1-6,11-14H,7-10,15H2,(H,30,34)(H,31,32);2-5,10-14,21,32H,6-9,15H2,1H3,(H,28,33)(H,29,30);2-15H,1H3,(H,28,31)(H,29,30);1-6,9-12H,7-8,13-14H2,(H,29,33)(H,30,31);2-5,10-14H,6-9,15H2,1H3,(H,27,31)(H,28,29) |
| InChIKey | FXJJMEQLDYPZDT-UHFFFAOYSA-N |
| XLogP | 22.43 |
| TPSA | 443.67 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2209.41 |
| LogP ≤ 5 | 22.43 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 25 |