methyl 4-{3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
methyl 4-{3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | G426-0075 |
| Compound Name: | methyl 4-{3-[3,7-dimethyl-1-(4-methylphenyl)-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyrazin-5-yl]propanamido}benzoate |
| Molecular Weight: | 459.5 |
| Molecular Formula: | C25 H25 N5 O4 |
| Smiles: | Cc1ccc(cc1)n1c2c(c(C)n1)N=C(CCC(Nc1ccc(cc1)C(=O)OC)=O)C(N2C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9403 |
| logD: | 2.9399 |
| logSw: | -3.4911 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.615 |
| InChI Key: | QIIQSWIRHPMIDJ-UHFFFAOYSA-N |