C171H152ClF3N22O9S3 — CID 163913600
2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine (PubChem CID 163913600) has the molecular formula C171H152ClF3N22O9S3 and a molecular weight of 2847.89 g/mol. Its IUPAC name is 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine.
| Compound Name | 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine |
|---|---|
| PubChem CID | 163913600 |
| Molecular Formula | C171H152ClF3N22O9S3 |
| Molecular Weight | 2847.89 g/mol |
| Exact Mass | 2845.09 |
| IUPAC Name | 2-chloro-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,3-thiazole-4-carboxamide;4-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-pyrrole-2-carboxamide;bis(3-methyl-N-[1-[(4-methylphenyl)methyl]indol-3-yl]thiophene-2-carboxamide);N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1H-imidazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]-1,2-oxazole-5-carboxamide;1-[(4-methylphenyl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]indol-3-amine |
| SMILES | Cc1ccc(Cn2cc(NC(=O)c3[nH]ccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3ccno3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3cnc[nH]3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3csc(Cl)n3)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3oncc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NC(=O)c3sccc3C)c3ccccc32)cc1.Cc1ccc(Cn2cc(NCc3ccc(C(F)(F)F)cc3)c3ccccc32)cc1 |
| InChI | InChI=1S/C24H21F3N2.C22H21N3O.2C22H20N2OS.C21H19N3O2.C20H16ClN3OS.C20H18N4O.C20H17N3O2/c1-17-6-8-19(9-7-17)15-29-16-22(21-4-2-3-5-23(21)29)28-14-18-10-12-20(13-11-18)24(25,26)27;1-15-7-9-17(10-8-15)13-25-14-19(18-5-3-4-6-20(18)25)24-22(26)21-16(2)11-12-23-21;2*1-15-7-9-17(10-8-15)13-24-14-19(18-5-3-4-6-20(18)24)23-22(25)21-16(2)11-12-26-21;1-14-7-9-16(10-8-14)12-24-13-18(17-5-3-4-6-19(17)24)23-21(25)20-15(2)11-22-26-20;1-13-6-8-14(9-7-13)10-24-11-16(15-4-2-3-5-18(15)24)22-19(25)17-12-26-20(21)23-17;1-14-6-8-15(9-7-14)11-24-12-18(16-4-2-3-5-19(16)24)23-20(25)17-10-21-13-22-17;1-14-6-8-15(9-7-14)12-23-13-17(16-4-2-3-5-18(16)23)22-20(24)19-10-11-21-25-19/h2-13,16,28H,14-15H2,1H3;3-12,14,23H,13H2,1-2H3,(H,24,26);2*3-12,14H,13H2,1-2H3,(H,23,25);3-11,13H,12H2,1-2H3,(H,23,25);2-9,11-12H,10H2,1H3,(H,22,25);2-10,12-13H,11H2,1H3,(H,21,22)(H,23,25);2-11,13H,12H2,1H3,(H,22,24) |
| InChIKey | QUHSCTDBXSQXIF-UHFFFAOYSA-N |
| XLogP | 40.87 |
| TPSA | 364.59 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 209 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2847.89 |
| LogP ≤ 5 | 40.87 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |