HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86636932Generated: October 30, 2026
((2R)-2-(Cyclopentylmethyl)-3-{2-[5-fluoro-6-(4-methyl-1-piperazinyl)-2-(methylthio)-4-pyrimidinyl]hydrazino}-3-oxopropyl)(tetrahydro-2H-pyran-2-yloxy)formamide
https://huagongshe.com/en/chemical/86636932
Identifiers & Physical Properties
| Molecular formula | C25H40FN7O4S |
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| Average molar mass | 553.7 g/mol |
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| Monoisotopic mass | 553.28465212 g/mol |
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| SMILES | CSc1nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OC2CCCCO2)c(F)c(N2CCN(C)CC2)n1 |
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| InChIKey | IMXFBAVMPQVFKI-FIWHBWSRSA-N |
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| PubChem CID | 86636932 |
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Chemical & Physical Properties
| XLogP | 4.2 |
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| Topological polar surface area | 137 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 11 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 745 |
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![((2R)-2-(Cyclopentylmethyl)-3-{2-[5-fluoro-6-(4-methyl-1-piperazinyl)-2-(methylthio)-4-pyrimidinyl]hydrazino}-3-oxopropyl)(tetrahydro-2H-pyran-2-yloxy)formamide molecular structure](/img/chemical/86636932.png)