2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Chemical Structure Depiction of
2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide
Compound characteristics
| Compound ID: | Y504-5448 |
| Compound Name: | 2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)acetamide |
| Molecular Weight: | 549.68 |
| Molecular Formula: | C25 H27 N9 O2 S2 |
| Smiles: | CCn1c(c2cc(C3CC3)nc3c2c(C)nn3C)nnc1SCC(NN1C(C)=Nc2c(cc(C)s2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7352 |
| logD: | 2.7051 |
| logSw: | -3.2286 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.543 |
| InChI Key: | MXXYVFSGUUCWEJ-UHFFFAOYSA-N |