C106H86F12N16O9S — CID 159709988
2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide (PubChem CID 159709988) has the molecular formula C106H86F12N16O9S and a molecular weight of 1988.00 g/mol. Its IUPAC name is 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide.
| Compound Name | 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide |
|---|---|
| PubChem CID | 159709988 |
| Molecular Formula | C106H86F12N16O9S |
| Molecular Weight | 1988.00 g/mol |
| Exact Mass | 1986.63 |
| IUPAC Name | 2-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide;3-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,2-oxazole-4-carboxamide;4-methyl-N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]-1,3-thiazole-5-carboxamide;N-[1-[(4-methylphenyl)methyl]indol-3-yl]furan-3-carboxamide;N-[5-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indol-3-yl]furan-3-carboxamide |
| SMILES | Cc1ccc(Cn2cc(NC(=O)c3ccoc3)c3ccccc32)cc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1ccoc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1conc1C)cn2Cc1ccc(C(F)(F)F)nc1.Cc1ccc2c(c1)c(NC(=O)c1scnc1C)cn2Cc1ccc(C(F)(F)F)nc1 |
| InChI | InChI=1S/C22H18F3N3O2.C21H17F3N4O2.C21H17F3N4OS.C21H16F3N3O2.C21H18N2O2/c1-13-3-5-19-17(9-13)18(27-21(29)16-7-8-30-14(16)2)12-28(19)11-15-4-6-20(26-10-15)22(23,24)25;1-12-3-5-18-15(7-12)17(26-20(29)16-11-30-27-13(16)2)10-28(18)9-14-4-6-19(25-8-14)21(22,23)24;1-12-3-5-17-15(7-12)16(27-20(29)19-13(2)26-11-30-19)10-28(17)9-14-4-6-18(25-8-14)21(22,23)24;1-13-2-4-18-16(8-13)17(26-20(28)15-6-7-29-12-15)11-27(18)10-14-3-5-19(25-9-14)21(22,23)24;1-15-6-8-16(9-7-15)12-23-13-19(18-4-2-3-5-20(18)23)22-21(24)17-10-11-25-14-17/h3-10,12H,11H2,1-2H3,(H,27,29);3-8,10-11H,9H2,1-2H3,(H,26,29);3-8,10-11H,9H2,1-2H3,(H,27,29);2-9,11-12H,10H2,1H3,(H,26,28);2-11,13-14H,12H2,1H3,(H,22,24) |
| InChIKey | MYSDJWXZVFYJGT-UHFFFAOYSA-N |
| XLogP | 26.06 |
| TPSA | 300.05 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 144 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1988.00 |
| LogP ≤ 5 | 26.06 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 21 |