3,3-dimethyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
3,3-dimethyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one
Compound characteristics
| Compound ID: | V010-4718 |
| Compound Name: | 3,3-dimethyl-1-{4-[6-(pentan-2-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}butan-1-one |
| Molecular Weight: | 448.61 |
| Molecular Formula: | C26 H36 N6 O |
| Salt: | not_available |
| Smiles: | CCCC(C)c1nc(c2cnn(c3ccccc3)c2n1)N1CCN(CC1)C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0476 |
| logD: | 5.936 |
| logSw: | -5.4748 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 52.822 |
| InChI Key: | PTLBICCVSODORQ-IBGZPJMESA-N |