3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
Chemical Structure Depiction of
3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile
Compound characteristics
| Compound ID: | K405-3533 |
| Compound Name: | 3-{[1-(5-chloro-2-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}benzonitrile |
| Molecular Weight: | 360.8 |
| Molecular Formula: | C19 H13 Cl N6 |
| Smiles: | Cc1ccc(cc1n1c2c(cn1)c(Nc1cccc(C#N)c1)ncn2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.013 |
| logD: | 5.0128 |
| logSw: | -5.192 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.783 |
| InChI Key: | ODMRMBCMTIUSOK-UHFFFAOYSA-N |