1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1105 |
| Compound Name: | 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-[4-(methylsulfanyl)phenyl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C24 H22 N6 O2 S |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2cccc(c2)OC)n1)=O)c1ccc(cc1)SC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0019 |
| logD: | 4.0014 |
| logSw: | -4.1864 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.919 |
| InChI Key: | NGKRQVCFGYKEDL-LJQANCHMSA-N |