2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)butan-1-one
2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | K898-1294 |
| Compound Name: | 2-{[4-imino-5-(4-methoxyphenyl)-3-methyl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)butan-1-one |
| Molecular Weight: | 454.59 |
| Molecular Formula: | C23 H30 N6 O2 S |
| Smiles: | CCC(C(N1CCC(C)CC1)=O)SC1=Nc2c(C(=N)N1c1ccc(cc1)OC)c(C)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4144 |
| logD: | -1.1551 |
| logSw: | -3.7801 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.232 |
| InChI Key: | UGBBOKJEELMDOP-SFHVURJKSA-N |