rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0234 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 486.5 |
| Molecular Formula: | C24 H25 F3 N6 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cncnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8787 |
| logD: | 0.8787 |
| logSw: | -2.2412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.942 |
| InChI Key: | NVQZGHRRRWRSPF-UXHICEINSA-N |