HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68463587Generated: November 4, 2026
1-{3-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/68463587
Identifiers & Physical Properties
| Molecular formula | C31H38ClF3N6O2 |
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| Average molar mass | 619.1 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)cc3)nn2CCCN2CCN(c3c(N)cccc3Cl)CC2)C1 |
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| InChIKey | XJPYSOZSSDLCAP-UHFFFAOYSA-N |
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| PubChem CID | 68463587 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 79.9 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 43 |
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| Formal charge | 0 |
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| Complexity | 922 |
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![1-{3-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester molecular structure](/img/chemical/68463587.png)