4-(2H-1,3-benzodioxole-5-carbonyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxole-5-carbonyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxole-5-carbonyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J013-1709 |
| Compound Name: | 4-(2H-1,3-benzodioxole-5-carbonyl)-1-(4-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 405.41 |
| Molecular Formula: | C22 H19 N3 O5 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc(cc2)OC)n1)=O)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.653 |
| logD: | 2.6482 |
| logSw: | -3.1652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.489 |
| InChI Key: | VXQSDARQNCUEQR-INIZCTEOSA-N |