2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide
Chemical Structure Depiction of
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide
2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide
Compound characteristics
| Compound ID: | V004-4824 |
| Compound Name: | 2-{1-ethyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-4-methyl-N-[(pyridin-2-yl)methyl]pentanamide |
| Molecular Weight: | 529.56 |
| Molecular Formula: | C27 H30 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(CC(C)C)C(NCc3ccccn3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5075 |
| logD: | 3.4326 |
| logSw: | -3.632 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.78 |
| InChI Key: | BTSGNJCOADAXCK-UHFFFAOYSA-N |