2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
Chemical Structure Depiction of
2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide
Compound characteristics
| Compound ID: | J081-1184 |
| Compound Name: | 2-(3-{1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl}phenoxy)acetamide |
| Molecular Weight: | 489.92 |
| Molecular Formula: | C24 H20 Cl N7 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)[Cl])n1)=O)c1cccc(c1)OCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4728 |
| logD: | 2.4723 |
| logSw: | -3.4942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.262 |
| InChI Key: | QKRDLSIKYGHUNZ-SFHVURJKSA-N |