N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Chemical Structure Depiction of
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide
Compound characteristics
| Compound ID: | F747-0505 |
| Compound Name: | N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]butanamide |
| Molecular Weight: | 516.65 |
| Molecular Formula: | C28 H36 N8 O2 |
| Smiles: | CCN1CCN(CCNC(CCCN2C(c3c(C(C)=N2)nn(c2ccccc2)c3n2cccc2)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.447 |
| logD: | 0.6544 |
| logSw: | -2.0209 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.945 |
| InChI Key: | MCNXTIKXTWUUMX-UHFFFAOYSA-N |