4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(pyrimidine-5-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-(pyrimidine-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(pyrimidine-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile
Compound characteristics
| Compound ID: | S947-0364 |
| Compound Name: | 4-[rel-(3aR,7aR)-3a-[(cyclopropylmethoxy)methyl]-5-(pyrimidine-5-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-(trifluoromethyl)benzonitrile |
| Molecular Weight: | 485.51 |
| Molecular Formula: | C25 H26 F3 N5 O2 |
| Smiles: | C1CC1COC[C@@]12CN(CC[C@H]2CN(C1)c1ccc(C#N)c(c1)C(F)(F)F)C(c1cncnc1)=O |
| Stereo: | RELATIVE |
| logP: | 2.3107 |
| logD: | 2.3107 |
| logSw: | -2.7067 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 66.726 |
| InChI Key: | VURYZESJLXWVEY-HYBUGGRVSA-N |