C121H87F15N24O8 — CID 161416282
N-(1-benzylindazol-3-yl)furan-3-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide (PubChem CID 161416282) has the molecular formula C121H87F15N24O8 and a molecular weight of 2290.16 g/mol. Its IUPAC name is N-(1-benzylindazol-3-yl)furan-3-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide.
| Compound Name | N-(1-benzylindazol-3-yl)furan-3-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide |
|---|---|
| PubChem CID | 161416282 |
| Molecular Formula | C121H87F15N24O8 |
| Molecular Weight | 2290.16 g/mol |
| Exact Mass | 2288.69 |
| IUPAC Name | N-(1-benzylindazol-3-yl)furan-3-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrazine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-2-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyridine-3-carboxamide;N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]pyrimidine-5-carboxamide |
| SMILES | O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnc1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cnccn1.O=C(Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cncnc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/2C21H15F3N4O.2C20H14F3N5O.C20H14F3N3O2.C19H15N3O2/c22-21(23,24)15-10-8-14(9-11-15)13-28-18-7-2-1-5-16(18)19(27-28)26-20(29)17-6-3-4-12-25-17;22-21(23,24)16-9-7-14(8-10-16)13-28-18-6-2-1-5-17(18)19(27-28)26-20(29)15-4-3-11-25-12-15;21-20(22,23)15-7-5-13(6-8-15)11-28-17-4-2-1-3-16(17)18(27-28)26-19(29)14-9-24-12-25-10-14;21-20(22,23)14-7-5-13(6-8-14)12-28-17-4-2-1-3-15(17)18(27-28)26-19(29)16-11-24-9-10-25-16;21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14/h2*1-12H,13H2,(H,26,27,29);1-10,12H,11H2,(H,26,27,29);1-11H,12H2,(H,26,27,29);1-10,12H,11H2,(H,24,25,27);1-11,13H,12H2,(H,20,21,23) |
| InChIKey | VWCYGSAZSUTNQZ-UHFFFAOYSA-N |
| XLogP | 26.67 |
| TPSA | 385.14 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 168 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2290.16 |
| LogP ≤ 5 | 26.67 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |