4-(2H-1,3-benzodioxol-5-yl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-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-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1112 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C24 H20 N6 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2cccc(c2)OC)n1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2801 |
| logD: | 3.2795 |
| logSw: | -3.4257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.034 |
| InChI Key: | FITWYIMPUOKKOL-KRWDZBQOSA-N |