HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 24856440Generated: October 30, 2026
2-allyl-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one
https://huagongshe.com/en/chemical/24856440
Identifiers & Physical Properties
| Molecular formula | C28H31N9O2 |
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| Average molar mass | 525.6 g/mol |
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| Monoisotopic mass | 525.26007127 g/mol |
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| SMILES | C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n1-c1cccc(N2CCCC2=O)n1 |
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| InChIKey | KCJAHQUUDORXRX-UHFFFAOYSA-N |
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| PubChem CID | 24856440 |
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Chemical & Physical Properties
| XLogP | 3.1 |
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| Topological polar surface area | 101 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 888 |
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![2-allyl-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-1-[6-(2-oxopyrrolidin-1-yl)pyridin-2-yl]-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one molecular structure](/img/chemical/24856440.png)