HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57813402Generated: November 4, 2026
N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({6-fluoro-3'-[(4-methyl-1-piperazinyl)methyl]-3-biphenylyl}methyl)-5-methyl-1,3-benzenedicarboxamide
https://huagongshe.com/en/chemical/57813402
Identifiers & Physical Properties
| Molecular formula | C44H53FN8O3 |
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| Average molar mass | 760.9 g/mol |
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| SMILES | CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C)CC4)c3)c2)c1 |
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| InChIKey | NVCSFSISBQKXBT-UHFFFAOYSA-N |
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| PubChem CID | 57813402 |
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Chemical & Physical Properties
| XLogP | 6.2 |
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| Topological polar surface area | 117 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 13 |
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| Heavy atoms | 56 |
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| Formal charge | 0 |
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| Complexity | 1,250 |
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![N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N'-({6-fluoro-3'-[(4-methyl-1-piperazinyl)methyl]-3-biphenylyl}methyl)-5-methyl-1,3-benzenedicarboxamide molecular structure](/img/chemical/57813402.png)