HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66778317Generated: October 25, 2026
tert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
https://huagongshe.com/en/chemical/66778317
Identifiers & Physical Properties
| Molecular formula | C25H25N7O2 |
|---|
| Average molar mass | 455.5 g/mol |
|---|
| SMILES | Cn1cc(-c2cnc3c(c2)c(-c2cn(Cc4ccccc4)nn2)cn3C(=O)OC(C)(C)C)cn1 |
|---|
| InChIKey | ZLTYQXMYXIWCAA-UHFFFAOYSA-N |
|---|
| PubChem CID | 66778317 |
|---|
Chemical & Physical Properties
| XLogP | 3.5 |
|---|
| Topological polar surface area | 92.7 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 6 |
|---|
| Rotatable bonds | 6 |
|---|
| Heavy atoms | 34 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 710 |
|---|
![tert-butyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate molecular structure](/img/chemical/66778317.png)