HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 70095330Generated: October 23, 2026
3-chloro-5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
https://huagongshe.com/en/chemical/70095330
Identifiers & Physical Properties
| Molecular formula | C23H24ClN5O2 |
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| Average molar mass | 437.9 g/mol |
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| SMILES | Cn1c(=O)c2c(Cl)n(Cc3ccc(-c4ccncc4)cc3)nc2n(CC(C)(C)C)c1=O |
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| InChIKey | RETIHMQZRJAVIU-UHFFFAOYSA-N |
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| PubChem CID | 70095330 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 71.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 669 |
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![3-chloro-5-methyl-7-neopentyl-2-(4-(pyridin-4-yl)benzyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione molecular structure](/img/chemical/70095330.png)