rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(pyridin-4-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-[(pyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(pyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5293 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-{1-[(pyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 497.56 |
| Molecular Formula: | C27 H30 F3 N5 O |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F)Cc1ccncc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9664 |
| logD: | 2.8886 |
| logSw: | -3.2196 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.339 |
| InChI Key: | GIVHMUNIFWTSBU-BJKOFHAPSA-N |