4-[rel-(3aR,7aR)-5-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-5-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-5-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S948-5266 |
| Compound Name: | 4-[rel-(3aR,7aR)-5-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-7a-(methoxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 475.51 |
| Molecular Formula: | C24 H28 F3 N5 O2 |
| Smiles: | CCn1c(C)c(cn1)C(N1CC[C@]2(CN(C[C@H]2C1)c1ccc(C#N)c(c1)C(F)(F)F)COC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5722 |
| logD: | 2.5722 |
| logSw: | -2.7774 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 59.639 |
| InChI Key: | IJZANJMDSUMISN-WZONZLPQSA-N |