HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 58981069Generated: October 26, 2026
5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide
https://huagongshe.com/en/chemical/58981069
Identifiers & Physical Properties
| Molecular formula | C26H28ClN7O4 |
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| Average molar mass | 538 g/mol |
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| Monoisotopic mass | 537.1891301 g/mol |
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| SMILES | CONC(=O)c1cc(-c2c3c(=O)n(C)c(=O)n(CC(C)C)c3nn2Cc2c[nH]c3ccc(Cl)cc23)n(C)c1 |
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| InChIKey | ITACUEMTWYITEH-UHFFFAOYSA-N |
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| PubChem CID | 58981069 |
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Chemical & Physical Properties
| XLogP | 2.9 |
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| Topological polar surface area | 117 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 924 |
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![5-{2-[(5-chloro-1H-indol-3-yl)methyl]-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-methoxy-1-methyl-1H-pyrrole-3-carboxamide molecular structure](/img/chemical/58981069.png)