HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57750331Generated: October 26, 2026
lithium 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate
https://huagongshe.com/en/chemical/57750331
Identifiers & Physical Properties
| Molecular formula | C26H30ClLiN6O5 |
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| Average molar mass | 549 g/mol |
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| SMILES | CC(C)(C)OC(=O)NC1(C(=O)NC(CC(=O)[O-])c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1.[Li+] |
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| InChIKey | ZFBDDVBCCPIDDY-UHFFFAOYSA-M |
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| PubChem CID | 57750331 |
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Chemical & Physical Properties
| Topological polar surface area | 152 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 860 |
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![lithium 3-(4-(tert-butoxycarbonylamino)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamido)-3-(4-chlorophenyl)propanoate molecular structure](/img/chemical/57750331.png)