HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69918488Generated: October 31, 2026
1h-Pyrazolo[3,4-b]pyridine-1-carboxylic acid,5-hydroxy-3-(4-pyridinyl)-,1,1-dimethylethyl ester
https://huagongshe.com/en/chemical/69918488
Identifiers & Physical Properties
| Molecular formula | C16H16N4O3 |
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| Average molar mass | 312.32 g/mol |
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| Monoisotopic mass | 312.12224039 g/mol |
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| SMILES | CC(C)(C)OC(=O)n1nc(-c2ccncc2)c2cc(O)cnc21 |
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| InChIKey | LGHJJYVLHIWDKB-UHFFFAOYSA-N |
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| PubChem CID | 69918488 |
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Chemical & Physical Properties
| XLogP | 2.3 |
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| Topological polar surface area | 90.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 23 |
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| Formal charge | 0 |
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| Complexity | 434 |
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![1h-Pyrazolo[3,4-b]pyridine-1-carboxylic acid,5-hydroxy-3-(4-pyridinyl)-,1,1-dimethylethyl ester molecular structure](/img/chemical/69918488.png)