HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504378Generated: October 29, 2026
(2S)-N-(5-chloropyridin-2-yl)-3-ethoxy-2-(1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide
https://huagongshe.com/en/chemical/57504378
Identifiers & Physical Properties
| Molecular formula | C21H20ClN7O3 |
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| Average molar mass | 453.9 g/mol |
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| Monoisotopic mass | 453.1316152 g/mol |
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| SMILES | CCOC[C@H](Oc1ncnc2c1cnn2-c1cccnc1C)C(=O)Nc1ccc(Cl)cn1 |
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| InChIKey | RBHTXLVBUVZOJQ-KRWDZBQOSA-N |
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| PubChem CID | 57504378 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 117 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 32 |
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| Formal charge | 0 |
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| Complexity | 618 |
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![(2S)-N-(5-chloropyridin-2-yl)-3-ethoxy-2-(1-(2-methylpyridin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)propanamide molecular structure](/img/chemical/57504378.png)