1-(3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}phenyl)ethan-1-one
Chemical Structure Depiction of
1-(3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}phenyl)ethan-1-one
1-(3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}phenyl)ethan-1-one
Compound characteristics
| Compound ID: | K405-3446 |
| Compound Name: | 1-(3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}phenyl)ethan-1-one |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C20 H16 Cl N5 O |
| Smiles: | CC(c1cccc(c1)Nc1c2cnn(c3cc(ccc3C)[Cl])c2ncn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8929 |
| logD: | 4.8927 |
| logSw: | -4.9177 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.553 |
| InChI Key: | IDHTYPXNKIEJFC-UHFFFAOYSA-N |