4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | 8019-8002 |
| Compound Name: | 4-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-methyl-1-[6-(pyrrolidin-1-yl)pyridazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 478.51 |
| Molecular Formula: | C24 H26 N6 O5 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(nn2)N2CCCC2)n1)=O)c1cc(c2c(c1OC)OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4394 |
| logD: | 1.7376 |
| logSw: | -3.1761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.411 |
| InChI Key: | XSHGTTHTSBBRBC-AWEZNQCLSA-N |