rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0289 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-[(pyridin-4-yl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C27 H30 F3 N5 O |
| Smiles: | C1CN(CCC1[C@@H]1CN(Cc2ccncc2)C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 2.9374 |
| logD: | 2.6748 |
| logSw: | -3.2364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.339 |
| InChI Key: | GBGJZKJVVAOOMY-RPWUZVMVSA-N |