C121H103F7N24O8 — CID 161073394
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 161073394) has the molecular formula C121H103F7N24O8 and a molecular weight of 2154.30 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 161073394 |
| Molecular Formula | C121H103F7N24O8 |
| Molecular Weight | 2154.30 g/mol |
| Exact Mass | 2152.83 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-fluorophenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(3-fluorophenyl)-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-fluorophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1cccc(F)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccccc1F)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C25H24FN5O2.C25H17FN4O2.C24H20F3N5O.C24H22FN5O2.C23H20FN5O/c26-21-3-1-2-4-23(21)28-25(33)24-20-12-17(5-6-22(20)29-30-24)18-11-16(13-27-14-18)15-31-9-7-19(32)8-10-31;26-21-8-4-5-9-23(21)28-25(31)24-20-13-16(10-11-22(20)29-30-24)17-12-19(15-27-14-17)32-18-6-2-1-3-7-18;25-18-2-1-3-19(10-18)29-23(33)22-20-9-16(4-5-21(20)30-31-22)17-8-15(11-28-12-17)13-32-7-6-24(26,27)14-32;25-20-3-1-2-4-22(20)27-24(31)23-19-12-17(5-6-21(19)28-29-23)18-11-16(13-26-14-18)15-30-7-9-32-10-8-30;24-19-4-1-2-5-21(19)26-23(30)22-18-11-16(6-7-20(18)27-28-22)17-10-15(12-25-13-17)14-29-8-3-9-29/h1-6,11-14,19,32H,7-10,15H2,(H,28,33)(H,29,30);1-15H,(H,28,31)(H,29,30);1-5,8-12H,6-7,13-14H2,(H,29,33)(H,30,31);1-6,11-14H,7-10,15H2,(H,27,31)(H,28,29);1-2,4-7,10-13H,3,8-9,14H2,(H,26,30)(H,27,28) |
| InChIKey | UEYJKPMRTZYXFW-UHFFFAOYSA-N |
| XLogP | 22.71 |
| TPSA | 405.00 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 160 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2154.30 |
| LogP ≤ 5 | 22.71 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 22 |