1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-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-(2,4-dimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-0417 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | COc1ccc(C2CC(Nc3c2cnn3Cc2ccc3c(c2)OCO3)=O)c(c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0268 |
| logD: | 3.0268 |
| logSw: | -3.2475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.892 |
| InChI Key: | NMQSNFBWCDADHC-INIZCTEOSA-N |