rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5292 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(1-methyl-1H-pyrrol-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.58 |
| Molecular Formula: | C27 H32 F3 N5 O |
| Smiles: | Cn1cccc1CN1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.719 |
| logD: | 3.5265 |
| logSw: | -3.7991 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.808 |
| InChI Key: | BYWCRZWQIGNWBG-BJKOFHAPSA-N |