{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V009-0112 |
| Compound Name: | {4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(3-nitrophenyl)methanone |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C28 H30 F N7 O3 |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCN(CC1)C(c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2718 |
| logD: | 4.6135 |
| logSw: | -5.4893 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.803 |
| InChI Key: | NOMJCYBTUZRPJP-UHFFFAOYSA-N |