HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504289Generated: October 28, 2026
4-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-5-[(5-methylpyridin-2-yl)amino]-5-oxopentanoic acid
https://huagongshe.com/en/chemical/57504289
Identifiers & Physical Properties
| Molecular formula | C22H19ClN6O4 |
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| Average molar mass | 466.9 g/mol |
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| Monoisotopic mass | 466.1156308 g/mol |
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| SMILES | Cc1ccc(NC(=O)C(CCC(=O)O)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1 |
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| InChIKey | JOTWXARFJSGCMP-UHFFFAOYSA-N |
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| PubChem CID | 57504289 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 132 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 687 |
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![4-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-5-[(5-methylpyridin-2-yl)amino]-5-oxopentanoic acid molecular structure](/img/chemical/57504289.png)