HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57504390Generated: October 31, 2026
(2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methylpyridin-2-yl)-4-(methylsulfonamido)butanamide
https://huagongshe.com/en/chemical/57504390
Identifiers & Physical Properties
| Molecular formula | C22H22ClN7O4S |
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| Average molar mass | 516 g/mol |
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| Monoisotopic mass | 515.1142511 g/mol |
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| SMILES | Cc1ccc(NC(=O)[C@H](CCNS(C)(=O)=O)Oc2ncnc3c2cnn3-c2ccccc2Cl)nc1 |
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| InChIKey | PFFPTRBBPNPQBG-SFHVURJKSA-N |
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| PubChem CID | 57504390 |
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Chemical & Physical Properties
| XLogP | 2.8 |
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| Topological polar surface area | 149 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 816 |
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![(2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-N-(5-methylpyridin-2-yl)-4-(methylsulfonamido)butanamide molecular structure](/img/chemical/57504390.png)