2-(4-chlorophenyl)-5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Chemical Structure Depiction of
2-(4-chlorophenyl)-5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
2-(4-chlorophenyl)-5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one
Compound characteristics
| Compound ID: | G598-0544 |
| Compound Name: | 2-(4-chlorophenyl)-5-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-methyl-3-(1H-pyrrol-1-yl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyridazin-4-one |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C27 H23 Cl N6 O2 |
| Smiles: | CC1c2c(C(N(CC(N3CCc4ccccc4C3)=O)N=1)=O)c(n1cccc1)n(c1ccc(cc1)[Cl])n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4459 |
| logD: | 4.4459 |
| logSw: | -4.9162 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.188 |
| InChI Key: | JIGZVYPLHKRQHI-UHFFFAOYSA-N |