4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(3-fluoropyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Chemical Structure Depiction of
4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(3-fluoropyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(3-fluoropyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0344 |
| Compound Name: | 4-{rel-(3aR,7aS)-3a-[(cyclopropylmethoxy)methyl]-5-[(3-fluoropyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 488.53 |
| Molecular Formula: | C26 H28 F4 N4 O |
| Smiles: | C1CC1COC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)Cc1ccncc1F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2326 |
| logD: | 4.1672 |
| logSw: | -4.116 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.578 |
| InChI Key: | MMXOZFOGMJTTQT-PXDATVDWSA-N |