ethyl 3-[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V009-5808 |
| Compound Name: | ethyl 3-[4-(4-chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 507.98 |
| Molecular Formula: | C25 H26 Cl N7 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(c1cnc2c(c1[Cl])c(C)nn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1246 |
| logD: | 3.1245 |
| logSw: | -3.6508 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 83.207 |
| InChI Key: | XHXHYMVHWFODRE-UHFFFAOYSA-N |