4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | K402-0445 |
| Compound Name: | 4-{[1-(2,4-dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C24 H23 N7 O |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)Nc1c2cnn(c3ccc(C)cc3C)c2ncn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8378 |
| logD: | 3.6128 |
| logSw: | -3.8111 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.108 |
| InChI Key: | PYJYFJIKAOGHGV-UHFFFAOYSA-N |