C120H115F2N27O6 — CID 158669616
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-phenyl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158669616) has the molecular formula C120H115F2N27O6 and a molecular weight of 2069.42 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-phenyl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-phenyl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158669616 |
| Molecular Formula | C120H115F2N27O6 |
| Molecular Weight | 2069.42 g/mol |
| Exact Mass | 2067.95 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;N-phenyl-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-phenyl-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCCC5)nc4)c3c2)c1.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C25H23F2N5O.C25H27N7O.C24H23N5O.C23H21N5O2.C23H21N5O/c26-25(27)8-10-32(11-9-25)16-17-12-19(15-28-14-17)18-6-7-22-21(13-18)23(31-30-22)24(33)29-20-4-2-1-3-5-20;1-31(2)16-17-11-19(14-26-13-17)18-5-7-22-21(12-18)24(30-29-22)25(33)28-20-6-8-23(27-15-20)32-9-3-4-10-32;30-24(26-19-7-3-1-4-8-19)23-21-14-17(9-10-22(21)27-28-23)18-13-20(16-25-15-18)29-11-5-2-6-12-29;29-23(25-18-4-2-1-3-5-18)22-20-13-16(6-7-21(20)26-27-22)17-12-19(15-24-14-17)28-8-10-30-11-9-28;29-23(25-18-6-2-1-3-7-18)22-20-13-16(8-9-21(20)26-27-22)17-12-19(15-24-14-17)28-10-4-5-11-28/h1-7,12-15H,8-11,16H2,(H,29,33)(H,30,31);5-8,11-15H,3-4,9-10,16H2,1-2H3,(H,28,33)(H,29,30);1,3-4,7-10,13-16H,2,5-6,11-12H2,(H,26,30)(H,27,28);1-7,12-15H,8-11H2,(H,25,29)(H,26,27);1-3,6-9,12-15H,4-5,10-11H2,(H,25,29)(H,26,27) |
| InChIKey | IDUCEAKSGKZZII-UHFFFAOYSA-N |
| XLogP | 22.10 |
| TPSA | 394.91 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2069.42 |
| LogP ≤ 5 | 22.10 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 23 |