3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J094-0230 |
| Compound Name: | 3-methyl-1-(1-methyl-1H-benzimidazol-2-yl)-4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 425.41 |
| Molecular Formula: | C22 H18 F3 N5 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc3ccccc3n2C)n1)=O)c1cccc(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1711 |
| logD: | 1.2798 |
| logSw: | -4.3429 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.642 |
| InChI Key: | UCNLFCMDNKHLJH-OAHLLOKOSA-N |