(2H-1,3-benzodioxol-5-yl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
(2H-1,3-benzodioxol-5-yl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | V019-8443 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl){4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C31 H33 F N6 O3 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(CC3CCCCC3)nc2n(c2ccc(cc2)F)n1)N1CCN(CC1)C(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8946 |
| logD: | 5.2041 |
| logSw: | -5.7823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.458 |
| InChI Key: | CYNAQZRGEAKIPQ-UHFFFAOYSA-N |