C117H104F7N25O6 — CID 158270377
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158270377) has the molecular formula C117H104F7N25O6 and a molecular weight of 2089.27 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158270377 |
| Molecular Formula | C117H104F7N25O6 |
| Molecular Weight | 2089.27 g/mol |
| Exact Mass | 2087.85 |
| IUPAC Name | 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(3-fluorophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4cccc(F)c4)c3c2)c1.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCCC4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCCCC4)c3)cc12.O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12 |
| InChI | InChI=1S/C25H22F3N5O.C24H22FN5O.C23H20FN5O2.C23H20FN5O.C22H20FN5O/c26-19-2-1-3-20(12-19)30-24(34)23-21-11-17(4-5-22(21)31-32-23)18-10-16(13-29-14-18)15-33-8-6-25(27,28)7-9-33;25-18-5-4-6-19(13-18)27-24(31)23-21-12-16(7-8-22(21)28-29-23)17-11-20(15-26-14-17)30-9-2-1-3-10-30;24-17-2-1-3-18(12-17)26-23(30)22-20-11-15(4-5-21(20)27-28-22)16-10-19(14-25-13-16)29-6-8-31-9-7-29;24-17-4-3-5-18(12-17)26-23(30)22-20-11-15(6-7-21(20)27-28-22)16-10-19(14-25-13-16)29-8-1-2-9-29;1-28(2)13-14-8-16(12-24-11-14)15-6-7-20-19(9-15)21(27-26-20)22(29)25-18-5-3-4-17(23)10-18/h1-5,10-14H,6-9,15H2,(H,30,34)(H,31,32);4-8,11-15H,1-3,9-10H2,(H,27,31)(H,28,29);1-5,10-14H,6-9H2,(H,26,30)(H,27,28);3-7,10-14H,1-2,8-9H2,(H,26,30)(H,27,28);3-12H,13H2,1-2H3,(H,25,29)(H,26,27) |
| InChIKey | GIYLJDXVOUPTFC-UHFFFAOYSA-N |
| XLogP | 22.80 |
| TPSA | 378.78 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 155 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2089.27 |
| LogP ≤ 5 | 22.80 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 21 |