4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5250 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 489.54 |
| Molecular Formula: | C25 H30 F3 N5 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2CC[C@]3(CN(C[C@H]3C2)c2ccc(C#N)c(c2)C(F)(F)F)COC)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0127 |
| logD: | 2.0124 |
| logSw: | -2.7071 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.172 |
| InChI Key: | LNTAFDFOKANRBM-HYBUGGRVSA-N |