HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 44609354Generated: October 23, 2026
6-[(1,3-Dimethylpyrazol-4-yl)amino]-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridine-3-carbonitrile
https://huagongshe.com/en/chemical/44609354
Identifiers & Physical Properties
| Molecular formula | C21H21N7O |
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| Average molar mass | 387.4 g/mol |
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| SMILES | Cc1nn(C)cc1Nc1cc(Nc2cccc3c2C(=O)N(C)CC3)c(C#N)cn1 |
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| InChIKey | SNHDKTDTHBZAQG-UHFFFAOYSA-N |
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| PubChem CID | 44609354 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 98.9 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 648 |
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![6-[(1,3-Dimethylpyrazol-4-yl)amino]-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridine-3-carbonitrile molecular structure](/img/chemical/44609354.png)