4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J012-2229 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-2-methylphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 381.82 |
| Molecular Formula: | C20 H16 Cl N3 O3 |
| Smiles: | Cc1c(cccc1[Cl])n1c2c(cn1)C(CC(N2)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2997 |
| logD: | 4.2995 |
| logSw: | -4.5969 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.553 |
| InChI Key: | MKLWFRBVIYRZED-ZDUSSCGKSA-N |