4-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Chemical Structure Depiction of
4-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
4-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid
Compound characteristics
| Compound ID: | J081-0986 |
| Compound Name: | 4-[3-methyl-1-(3-methyl[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzoic acid |
| Molecular Weight: | 403.4 |
| Molecular Formula: | C20 H17 N7 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2ccc3nnc(C)n3n2)n1)=O)c1ccc(cc1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2648 |
| logD: | -1.7067 |
| logSw: | -1.9201 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.17 |
| InChI Key: | RCNDNBOGWHXPIT-AWEZNQCLSA-N |