4-(2H-1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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: | D361-1448 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 444.42 |
| Molecular Formula: | C23 H17 F N6 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)F)n1)=O)c1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3706 |
| logD: | 3.3701 |
| logSw: | -3.4318 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.49 |
| InChI Key: | GWTPAXJSCKDABX-INIZCTEOSA-N |