1-(3-chloro-2-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-(3-chloro-2-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-2196 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-4-{4-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 395.89 |
| Molecular Formula: | C22 H22 Cl N3 O2 |
| Smiles: | CC(C)Oc1ccc(cc1)C1CC(Nc2c1cnn2c1cccc(c1C)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9688 |
| logD: | 4.9686 |
| logSw: | -5.0922 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.24 |
| InChI Key: | LGTOGAZFIAFFPQ-KRWDZBQOSA-N |