{4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Chemical Structure Depiction of
{4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
{4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone
Compound characteristics
| Compound ID: | V011-9708 |
| Compound Name: | {4-[3-methyl-6-(oxan-4-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl}(4-nitrophenyl)methanone |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C28 H29 N7 O4 |
| Salt: | not_available |
| Smiles: | Cc1c2c(nc(C3CCOCC3)nc2n(c2ccccc2)n1)N1CCN(CC1)C(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0831 |
| logD: | 3.937 |
| logSw: | -4.325 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 94.642 |
| InChI Key: | IYCLSIBYQSNWSF-UHFFFAOYSA-N |