4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(3-methylpyridine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(3-methylpyridine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(3-methylpyridine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0235 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-(methoxymethyl)-5-(3-methylpyridine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 458.48 |
| Molecular Formula: | C24 H25 F3 N4 O2 |
| Smiles: | Cc1cccnc1C(N1CC[C@@H]2CN(C[C@@]2(C1)COC)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.0731 |
| logD: | 3.0731 |
| logSw: | -2.9687 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 55.532 |
| InChI Key: | YZWFPWSZTAHTJZ-WZONZLPQSA-N |