C107H115F2N27O8 — CID 158543637
5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-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;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158543637) has the molecular formula C107H115F2N27O8 and a molecular weight of 1945.27 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-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;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-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;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158543637 |
| Molecular Formula | C107H115F2N27O8 |
| Molecular Weight | 1945.27 g/mol |
| Exact Mass | 1943.94 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-[6-(azetidin-1-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;methane;N-(6-morpholin-4-yl-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | C.C.C.C.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC5)nc4)c3c2)c1.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(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C28H31N7O3.C28H24N6O3.C26H25F2N7O.C21H19N7O.4CH4/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;22-15-8-14(10-23-11-15)13-2-4-18-17(9-13)20(27-26-18)21(29)25-16-3-5-19(24-12-16)28-6-1-7-28;;;;/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);2-5,8-12H,1,6-7,22H2,(H,25,29)(H,26,27);4*1H4 |
| InChIKey | HOVKLHHFUTVIDY-UHFFFAOYSA-N |
| XLogP | 17.90 |
| TPSA | 427.62 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 144 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1945.27 |
| LogP ≤ 5 | 17.90 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 27 |