HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504307Generated: October 25, 2026
2-(1-(2-Chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-methyl-n-(5-methylpyridin-2-yl)butanamide
https://huagongshe.com/en/chemical/57504307
Identifiers & Physical Properties
| Molecular formula | C22H21ClN6O2 |
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| Average molar mass | 436.9 g/mol |
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| Monoisotopic mass | 436.1414516 g/mol |
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| SMILES | Cc1ccc(NC(=O)C(Oc2ncnc3c2cnn3-c2ccccc2Cl)C(C)C)nc1 |
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| InChIKey | CAWJQBFJFDJKJU-UHFFFAOYSA-N |
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| PubChem CID | 57504307 |
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Chemical & Physical Properties
| XLogP | 4.7 |
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| Topological polar surface area | 94.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 611 |
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![2-(1-(2-Chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-methyl-n-(5-methylpyridin-2-yl)butanamide molecular structure](/img/chemical/57504307.png)