4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(2-methyl-1H-imidazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(2-methyl-1H-imidazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(2-methyl-1H-imidazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5286 |
| Compound Name: | 4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(2-methyl-1H-imidazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C23 H26 F3 N5 O2 |
| Smiles: | Cc1nccn1CC(N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.572 |
| logD: | 0.5469 |
| logSw: | -2.2553 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 57.745 |
| InChI Key: | OKZRGVNKLHZCSA-XMSQKQJNSA-N |