4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
Compound ID: | D361-0944 |
Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
Molecular Weight: | 426.43 |
Molecular Formula: | C23 H18 N6 O3 |
Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccccc2)n1)=O)c1ccc2c(c1)OCO2 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2365 |
logD: | 3.2359 |
logSw: | -3.3685 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.49 |
InChI Key: | ZSXLLPQWVQUTMU-INIZCTEOSA-N |