4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methyl-1H-pyrazol-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-[(4-methyl-1H-pyrazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methyl-1H-pyrazol-1-yl)acetyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5282 |
| Compound Name: | 4-{rel-(3aR,7aR)-7a-(methoxymethyl)-5-[(4-methyl-1H-pyrazol-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: | Cc1cnn(CC(N2CC[C@]3(CN(C[C@H]3C2)c2ccc(C#N)c(c2)C(F)(F)F)COC)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 2.0959 |
| logD: | 2.0959 |
| logSw: | -2.8061 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.964 |
| InChI Key: | DMYQGKSDTNEEIK-XMSQKQJNSA-N |