2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Chemical Structure Depiction of
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide
Compound characteristics
| Compound ID: | G598-0207 |
| Compound Name: | 2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)acetamide |
| Molecular Weight: | 496.57 |
| Molecular Formula: | C28 H28 N6 O3 |
| Smiles: | CC(C)Oc1ccc(CNC(CN2C(c3c(C(C)=N2)nn(c2ccccc2)c3n2cccc2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0666 |
| logD: | 4.0666 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.408 |
| InChI Key: | QVCAAPCEMVCDAR-UHFFFAOYSA-N |