4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5233 |
| Compound Name: | 4-[rel-(3aR,7aR)-7a-(methoxymethyl)-5-(1-methyl-1H-imidazole-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 447.46 |
| Molecular Formula: | C22 H24 F3 N5 O2 |
| Smiles: | Cn1cncc1C(N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC)=O |
| Stereo: | RELATIVE |
| logP: | 1.8084 |
| logD: | 1.7721 |
| logSw: | -2.3121 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 56.96 |
| InChI Key: | PNEZKGHITAHDBD-IIBYNOLFSA-N |