4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(1-methyl-1H-imidazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(1-methyl-1H-imidazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(1-methyl-1H-imidazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0342 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(1-methyl-1H-imidazole-4-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 487.52 |
| Molecular Formula: | C25 H28 F3 N5 O2 |
| Smiles: | Cn1cc(C(N2CC[C@H]3CN(C[C@]3(C2)COCC2CC2)c2ccc(C#N)c(c2)C(F)(F)F)=O)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8875 |
| logD: | 2.8875 |
| logSw: | -3.0317 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 58.612 |
| InChI Key: | UASMEBVAVMIGFF-NTKDMRAZSA-N |