1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1010 |
| Compound Name: | 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(4-ethoxy-3-methoxyphenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 490.95 |
| Molecular Formula: | C25 H23 Cl N6 O3 |
| Smiles: | CCOc1ccc(cc1OC)C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9837 |
| logD: | 3.9831 |
| logSw: | -4.6796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.215 |
| InChI Key: | YOAFRLVYLVRTLE-SFHVURJKSA-N |