4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
Chemical Structure Depiction of
4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
Compound characteristics
Compound ID: | F747-0509 |
Compound Name: | 4-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide |
Molecular Weight: | 502.62 |
Molecular Formula: | C27 H34 N8 O2 |
Smiles: | CC1c2c(C(N(CCCC(NCCN3CCN(C)CC3)=O)N=1)=O)c(n1cccc1)n(c1ccccc1)n2 |
Stereo: | ACHIRAL |
logP: | 1.1022 |
logD: | 0.4347 |
logSw: | -1.8938 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 75.884 |
InChI Key: | KXHURAXZALBAGV-UHFFFAOYSA-N |