rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5071 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(3-fluoropyridin-4-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C24 H25 F4 N5 O |
| Smiles: | C1CN(CCC1[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F)Cc1ccncc1F |
| Stereo: | RELATIVE |
| logP: | 2.6481 |
| logD: | 2.6152 |
| logSw: | -2.8812 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.018 |
| InChI Key: | SPYWBIATUCNTEQ-UXHICEINSA-N |