3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0966 |
| Compound Name: | 3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C23 H17 F3 N6 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccccc2)n1)=O)c1ccc(cc1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1117 |
| logD: | 4.1112 |
| logSw: | -4.0864 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.375 |
| InChI Key: | VXHSDGBEICIPTK-QGZVFWFLSA-N |