C142H112F18N18O7 — CID 158259578
N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-(pyridin-3-ylmethyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide (PubChem CID 158259578) has the molecular formula C142H112F18N18O7 and a molecular weight of 2524.54 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-(pyridin-3-ylmethyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide.
| Compound Name | N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-(pyridin-3-ylmethyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide |
|---|---|
| PubChem CID | 158259578 |
| Molecular Formula | C142H112F18N18O7 |
| Molecular Weight | 2524.54 g/mol |
| Exact Mass | 2522.87 |
| IUPAC Name | N-(1H-indol-5-yl)-3-[2-(6-methoxy-3-pyridinyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-(pyridin-3-ylmethyl)-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]propanamide;N-(1H-indol-5-yl)-3-[2-pyridin-4-yl-4-(trifluoromethyl)phenyl]propanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-3-ylpropanamide;3-[2-pyridin-3-yl-4-(trifluoromethyl)phenyl]-N-quinolin-7-ylpropanamide |
| SMILES | COc1ccc(-c2cc(C(F)(F)F)ccc2CCC(=O)Nc2ccc3[nH]ccc3c2)cn1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1ccc2cccnc2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1cccnc1)Nc1cnc2ccccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1-c1ccncc1)Nc1ccc2[nH]ccc2c1.O=C(CCc1ccc(C(F)(F)F)cc1Cc1cccnc1)Nc1ccc2[nH]ccc2c1 |
| InChI | InChI=1S/C24H20F3N3O2.C24H18F3N3O.C24H20F3N3O.C24H18F3N3O.2C23H18F3N3O/c1-32-23-9-4-17(14-29-23)20-13-18(24(25,26)27)5-2-15(20)3-8-22(31)30-19-6-7-21-16(12-19)10-11-28-21;25-24(26,27)19-8-5-16(21(13-19)18-4-1-11-28-15-18)7-10-23(31)30-20-9-6-17-3-2-12-29-22(17)14-20;25-24(26,27)20-5-3-17(19(13-20)12-16-2-1-10-28-15-16)4-8-23(31)30-21-6-7-22-18(14-21)9-11-29-22;25-24(26,27)19-9-7-16(21(13-19)18-5-3-11-28-14-18)8-10-23(31)30-20-12-17-4-1-2-6-22(17)29-15-20;24-23(25,26)18-3-1-15(20(14-18)16-7-10-27-11-8-16)2-6-22(30)29-19-4-5-21-17(13-19)9-12-28-21;24-23(25,26)18-5-3-15(20(13-18)17-2-1-10-27-14-17)4-8-22(30)29-19-6-7-21-16(12-19)9-11-28-21/h2,4-7,9-14,28H,3,8H2,1H3,(H,30,31);1-6,8-9,11-15H,7,10H2,(H,30,31);1-3,5-7,9-11,13-15,29H,4,8,12H2,(H,30,31);1-7,9,11-15H,8,10H2,(H,30,31);1,3-5,7-14,28H,2,6H2,(H,29,30);1-3,5-7,9-14,28H,4,8H2,(H,29,30) |
| InChIKey | GHSFIRWSVWAPMQ-UHFFFAOYSA-N |
| XLogP | 34.99 |
| TPSA | 350.11 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2524.54 |
| LogP ≤ 5 | 34.99 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 15 |