C127H105F3N18O8 — CID 163685830
N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrimidine-5-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 163685830) has the molecular formula C127H105F3N18O8 and a molecular weight of 2068.35 g/mol. Its IUPAC name is N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrimidine-5-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide.
| Compound Name | N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrimidine-5-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide |
|---|---|
| PubChem CID | 163685830 |
| Molecular Formula | C127H105F3N18O8 |
| Molecular Weight | 2068.35 g/mol |
| Exact Mass | 2066.83 |
| IUPAC Name | N-(1-benzylindol-3-yl)furan-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrazine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-2-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyridine-3-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]pyrimidine-5-carboxamide;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indol-3-yl]furan-3-carboxamide |
| SMILES | Cc1ccc(Cn2cc(NC(=O)c3ccccn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cccnc3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnccn3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cncnc3)c3ccccc32)cc1.O=C(Nc1cn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1cn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1 |
| InChI | InChI=1S/2C22H19N3O.C21H15F3N2O2.2C21H18N4O.C20H16N2O2/c1-16-9-11-17(12-10-16)14-25-15-20(18-6-2-3-8-21(18)25)24-22(26)19-7-4-5-13-23-19;1-16-8-10-17(11-9-16)14-25-15-20(19-6-2-3-7-21(19)25)24-22(26)18-5-4-12-23-13-18;22-21(23,24)17-7-3-1-5-14(17)11-26-12-18(16-6-2-4-8-19(16)26)25-20(27)15-9-10-28-13-15;1-15-6-8-16(9-7-15)12-25-13-19(18-4-2-3-5-20(18)25)24-21(26)17-10-22-14-23-11-17;1-15-6-8-16(9-7-15)13-25-14-19(17-4-2-3-5-20(17)25)24-21(26)18-12-22-10-11-23-18;23-20(16-10-11-24-14-16)21-18-13-22(12-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h2*2-13,15H,14H2,1H3,(H,24,26);1-10,12-13H,11H2,(H,25,27);2-11,13-14H,12H2,1H3,(H,24,26);2-12,14H,13H2,1H3,(H,24,26);1-11,13-14H,12H2,(H,21,23) |
| InChIKey | JOULQBVXSPXPRK-UHFFFAOYSA-N |
| XLogP | 27.46 |
| TPSA | 307.80 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2068.35 |
| LogP ≤ 5 | 27.46 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 20 |