{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
{4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | V002-4871 |
| Compound Name: | {4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(3,5-dimethoxyphenyl)methanone |
| Molecular Weight: | 586.71 |
| Molecular Formula: | C33 H39 F N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCCN(CC1)C(c1cc(cc(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5242 |
| logD: | 5.8338 |
| logSw: | -5.8398 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.761 |
| InChI Key: | ABEZJLXLQLFPNS-UHFFFAOYSA-N |