1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8018-8224 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 415.37 |
| Molecular Formula: | C21 H16 F3 N3 O3 |
| Smiles: | C1C(c2ccc(cc2)C(F)(F)F)c2cnn(Cc3ccc4c(c3)OCO4)c2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7723 |
| logD: | 3.7723 |
| logSw: | -4.1072 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.717 |
| InChI Key: | BMKSERPYABUBPI-OAHLLOKOSA-N |