HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 90052182Generated: November 2, 2026
Tert-butyl (2-((4-cyanophenyl)amino)-5-(5-(1,3-dioxoisoindolin-2-yl)-1-pentyn-1-yl)pyridin-4-yl)(propyl)carbamate
https://huagongshe.com/en/chemical/90052182
Identifiers & Physical Properties
| Molecular formula | C33H33N5O4 |
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| Average molar mass | 563.6 g/mol |
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| Monoisotopic mass | 563.25325455 g/mol |
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| SMILES | CCCN(C(=O)OC(C)(C)C)c1cc(Nc2ccc(C#N)cc2)ncc1C#CCCCN1C(=O)c2ccccc2C1=O |
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| InChIKey | CQJHTJZBZUXJFV-UHFFFAOYSA-N |
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| PubChem CID | 90052182 |
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Chemical & Physical Properties
| XLogP | 5.8 |
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| Topological polar surface area | 116 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 42 |
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| Formal charge | 0 |
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| Complexity | 1,060 |
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