N-{[4-(dimethylamino)phenyl]methyl}-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-{[4-(dimethylamino)phenyl]methyl}-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-{[4-(dimethylamino)phenyl]methyl}-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: | G598-2872 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-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: | 499.55 |
| Molecular Formula: | C27 H26 F N7 O2 |
| Smiles: | CC1c2c(C(N(CC(NCc3ccc(cc3)N(C)C)=O)N=1)=O)c(n1cccc1)n(c1cccc(c1)F)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6821 |
| logD: | 3.6667 |
| logSw: | -4.1033 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.41 |
| InChI Key: | VTLJIZVZCPDENK-UHFFFAOYSA-N |