1-(3,5-dimethylpiperidin-1-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(3,5-dimethylpiperidin-1-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
1-(3,5-dimethylpiperidin-1-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | K898-0404 |
| Compound Name: | 1-(3,5-dimethylpiperidin-1-yl)-2-{[4-imino-5-(3-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C22 H28 N6 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CSC1=Nc2c(C(=N)N1c1cccc(c1)OC)c(C)n[nH]2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0856 |
| logD: | -1.0591 |
| logSw: | -3.4304 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.572 |
| InChI Key: | OUAFSFDDWDHXCU-UHFFFAOYSA-N |