1-(3-chlorophenyl)-4-{3-methoxy-2-[(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-(3-chlorophenyl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chlorophenyl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-1752 |
| Compound Name: | 1-(3-chlorophenyl)-4-{3-methoxy-2-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C22 H20 Cl N3 O3 |
| Smiles: | COc1cccc(C2CC(Nc3c2cnn3c2cccc(c2)[Cl])=O)c1OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4383 |
| logD: | 4.4382 |
| logSw: | -4.4905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.96 |
| InChI Key: | BZOZUBZKJLKGBE-KRWDZBQOSA-N |