HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86691663Generated: October 29, 2026
4-[3-(1H-Indol-5-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxy-benzaldehyde
https://huagongshe.com/en/chemical/86691663
Identifiers & Physical Properties
| Molecular formula | C30H23N3O4S |
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| Average molar mass | 521.6 g/mol |
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| Monoisotopic mass | 521.1409274 g/mol |
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| SMILES | COc1cc(-c2cnc3c(c2)c(-c2ccc4[nH]ccc4c2)cn3S(=O)(=O)c2ccc(C)cc2)ccc1C=O |
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| InChIKey | OELQCUDISVWTRM-UHFFFAOYSA-N |
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| PubChem CID | 86691663 |
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Chemical & Physical Properties
| XLogP | 5.7 |
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| Topological polar surface area | 102 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 38 |
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| Formal charge | 0 |
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| Complexity | 932 |
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![4-[3-(1H-Indol-5-yl)-1-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxy-benzaldehyde molecular structure](/img/chemical/86691663.png)