1-{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
1-{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | V026-8523 |
| Compound Name: | 1-{4-[6-(methoxymethyl)-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Salt: | not_available |
| Smiles: | CC(C)C(N1CCCN(CC1)c1c2cnn(c3ccc(C)cc3)c2nc(COC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8446 |
| logD: | 3.8161 |
| logSw: | -3.7695 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.095 |
| InChI Key: | ULZPCANQOALCFL-UHFFFAOYSA-N |