N-butyl-2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
Chemical Structure Depiction of
N-butyl-2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
N-butyl-2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide
Compound characteristics
| Compound ID: | G598-2847 |
| Compound Name: | N-butyl-2-[2-(3-fluorophenyl)-7-methyl-4-oxo-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]acetamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C22 H23 F N6 O2 |
| Smiles: | CCCCNC(CN1C(c2c(C(C)=N1)nn(c1cccc(c1)F)c2n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2458 |
| logD: | 3.2458 |
| logSw: | -3.3905 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.718 |
| InChI Key: | XCIOUMLFNMLJNN-UHFFFAOYSA-N |