2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide
Chemical Structure Depiction of
2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide
2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide
Compound characteristics
| Compound ID: | Y504-5540 |
| Compound Name: | 2-{[4-butyl-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-oxo-6,7-dihydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-3(5H)-yl)acetamide |
| Molecular Weight: | 577.73 |
| Molecular Formula: | C27 H31 N9 O2 S2 |
| Smiles: | CCCCn1c(c2cc(C)nc3c2c(C)nn3C)nnc1SCC(NN1C(C)=Nc2c(C1=O)c1CCCc1s2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9059 |
| logD: | 2.9051 |
| logSw: | -3.4406 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.638 |
| InChI Key: | HPKRPITZXJXKCJ-UHFFFAOYSA-N |