{4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
{4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | V024-7694 |
| Compound Name: | {4-[6-cyclopropyl-1-(4-methoxyphenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 482.59 |
| Molecular Formula: | C28 H30 N6 O2 |
| Smiles: | Cc1c2c(nc(C3CC3)nc2n(c2ccc(cc2)OC)n1)N1CCCN(CC1)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5678 |
| logD: | 2.9308 |
| logSw: | -4.5717 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.558 |
| InChI Key: | ROIJCWRCSNNTJU-UHFFFAOYSA-N |