HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67219160Generated: October 23, 2026
4-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/67219160
Identifiers & Physical Properties
| Molecular formula | C30H31Cl2N7O4 |
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| Average molar mass | 624.5 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)c3cccc(NC(=O)Nc4cc(Cl)cc(Cl)c4)c3)c3c(N)ncnc32)CC1 |
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| InChIKey | CLWQPRPKECDADD-UHFFFAOYSA-N |
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| PubChem CID | 67219160 |
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Chemical & Physical Properties
| XLogP | 4.8 |
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| Topological polar surface area | 144 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 43 |
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| Formal charge | 0 |
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| Complexity | 997 |
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![4-(4-Amino-5-{3-[3-(3,5-dichloro-phenyl)-ureido]-benzoyl}-pyrrolo[2,3-d]pyrimidin-7-yl)-piperidine-1-carboxylic acid tert-butyl ester molecular structure](/img/chemical/67219160.png)