1-{2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoyl}piperidine-4-carboxamide
1-{2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | G598-0221 |
| Compound Name: | 1-{2-[7-methyl-4-oxo-2-phenyl-3-(1H-pyrrol-1-yl)-2,4-dihydro-5H-pyrazolo[3,4-d]pyridazin-5-yl]propanoyl}piperidine-4-carboxamide |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C25 H27 N7 O3 |
| Smiles: | CC(C(N1CCC(CC1)C(N)=O)=O)N1C(c2c(C(C)=N1)nn(c1ccccc1)c2n1cccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8503 |
| logD: | 1.8503 |
| logSw: | -2.0332 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.646 |
| InChI Key: | RKKLHKJMXMNMPM-KRWDZBQOSA-N |