N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
Chemical Structure Depiction of
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
Compound characteristics
| Compound ID: | Y504-5182 |
| Compound Name: | N-{1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide |
| Molecular Weight: | 512.33 |
| Molecular Formula: | C23 H16 Cl2 F N7 O2 |
| Smiles: | C(C(Nc1ccn(Cc2ccc(cc2[Cl])[Cl])n1)=O)N1C=Nc2c(cnn2c2ccc(cc2)F)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.0473 |
| logD: | 4.0468 |
| logSw: | -4.3711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.395 |
| InChI Key: | MIKSSXCPRYIPMR-UHFFFAOYSA-N |