2-{3-[3-methyl-6-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Chemical Structure Depiction of
2-{3-[3-methyl-6-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
2-{3-[3-methyl-6-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide
Compound characteristics
| Compound ID: | J081-1185 |
| Compound Name: | 2-{3-[3-methyl-6-oxo-1-(5-phenyl-1,2,4-triazin-3-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]phenoxy}acetamide |
| Molecular Weight: | 455.48 |
| Molecular Formula: | C24 H21 N7 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccccc2)n1)=O)c1cccc(c1)OCC(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7731 |
| logD: | 1.7725 |
| logSw: | -2.3641 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.262 |
| InChI Key: | PBMWNVKBJUUQDF-SFHVURJKSA-N |