HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504246Generated: October 25, 2026
2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide
https://huagongshe.com/en/chemical/57504246
Identifiers & Physical Properties
| Molecular formula | C21H19ClN6O3 |
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| Average molar mass | 438.9 g/mol |
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| Monoisotopic mass | 438.1207162 g/mol |
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| SMILES | COCC(Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 |
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| InChIKey | JOUKVMFZBZNCCO-UHFFFAOYSA-N |
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| PubChem CID | 57504246 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 104 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 601 |
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![2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-3-methoxy-N-(5-methylpyridin-2-yl)propanamide molecular structure](/img/chemical/57504246.png)