3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(thiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(thiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(thiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0805 |
| Compound Name: | 3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-(thiophen-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 402.48 |
| Molecular Formula: | C21 H18 N6 O S |
| Smiles: | Cc1ccc(cc1)c1cnnc(n1)n1c2c(C(CC(N2)=O)c2ccsc2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5164 |
| logD: | 3.516 |
| logSw: | -3.6068 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.393 |
| InChI Key: | VGKXIMBSYHEZLY-INIZCTEOSA-N |