1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]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-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-0597 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{3-methoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 433.46 |
| Molecular Formula: | C24 H23 N3 O5 |
| Smiles: | COc1cc(ccc1OCC=C)C1CC(Nc2c1cnn2Cc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.383 |
| logD: | 3.383 |
| logSw: | -3.4962 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.852 |
| InChI Key: | DCARVGRKSAJUEY-KRWDZBQOSA-N |