1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1027 |
| Compound Name: | 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 492.92 |
| Molecular Formula: | C24 H21 Cl N6 O4 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)[Cl])n1)=O)c1cc(c(c(c1)OC)O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0088 |
| logD: | 3.0011 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.115 |
| InChI Key: | PKUPRFYQXHEMIU-INIZCTEOSA-N |