4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methylpyrazine-2-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-(5-methylpyrazine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methylpyrazine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0340 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(5-methylpyrazine-2-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | Cc1cnc(cn1)C(N1CC[C@H]2CN(C[C@]2(C1)COCC1CC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.3166 |
| logD: | 3.3166 |
| logSw: | -3.1893 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 64.057 |
| InChI Key: | GRULAAIBNRVWMJ-CJFMBICVSA-N |