C108H107F2N27O9 — CID 158907506
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158907506) has the molecular formula C108H107F2N27O9 and a molecular weight of 1965.22 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158907506 |
| Molecular Formula | C108H107F2N27O9 |
| Molecular Weight | 1965.22 g/mol |
| Exact Mass | 1963.87 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-(azetidin-1-yl)-3-pyridinyl]-5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(6-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(N2CCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(N2CCOCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C28H31N7O3.C28H24N6O3.C26H25F2N7O.C26H27N7O2/c36-23-5-7-34(8-6-23)18-19-13-21(16-29-15-19)20-1-3-25-24(14-20)27(33-32-25)28(37)31-22-2-4-26(30-17-22)35-9-11-38-12-10-35;35-28(31-21-7-9-26(30-17-21)34-10-12-36-13-11-34)27-24-15-19(6-8-25(24)32-33-27)20-14-23(18-29-16-20)37-22-4-2-1-3-5-22;27-26(28)6-9-34(16-26)15-17-10-19(13-29-12-17)18-2-4-22-21(11-18)24(33-32-22)25(36)31-20-3-5-23(30-14-20)35-7-1-8-35;34-26(29-21-3-5-24(28-16-21)33-8-10-35-11-9-33)25-22-13-19(2-4-23(22)30-31-25)20-12-18(14-27-15-20)17-32-6-1-7-32/h1-4,13-17,23,36H,5-12,18H2,(H,31,37)(H,32,33);1-9,14-18H,10-13H2,(H,31,35)(H,32,33);2-5,10-14H,1,6-9,15-16H2,(H,31,36)(H,32,33);2-5,12-16H,1,6-11,17H2,(H,29,34)(H,30,31) |
| InChIKey | JGFPNJISIIHHGA-UHFFFAOYSA-N |
| XLogP | 15.60 |
| TPSA | 414.07 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 146 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1965.22 |
| LogP ≤ 5 | 15.60 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 28 |