About 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 166110620) has the molecular formula C25H28N4O4Si
and a molecular weight of 476.61 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 166110620 |
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| Molecular Formula | C25H28N4O4Si |
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| Molecular Weight | 476.61 g/mol |
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| Exact Mass | 476.19 |
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| IUPAC Name | 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | COc1ccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4ccc([N+](=O)[O-])cc4)cc23)cc1 |
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| InChI | InChI=1S/C25H28N4O4Si/c1-32-22-11-7-19(8-12-22)24-23-15-20(18-5-9-21(10-6-18)29(30)31)16-26-25(23)28(27-24)17-33-13-14-34(2,3)4/h5-12,15-16H,13-14,17H2,1-4H3 |
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| InChIKey | IUZKGONCJZWEFS-UHFFFAOYSA-N |
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| XLogP | 5.99 |
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| TPSA | 92.31 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 476.61 |
| LogP ≤ 5 | 5.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 166110620) is 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ccc(-c2nn(COCC[Si](C)(C)C)c3ncc(-c4ccc([N+](=O)[O-])cc4)cc23)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is IUZKGONCJZWEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4Si/c1-32-22-11-7-19(8-12-22)24-23-15-20(18-5-9-21(10-6-18)29(30)31)16-26-25(23)28(27-24)17-33-13-14-34(2,3)4/h5-12,15-16H,13-14,17H2,1-4H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 476.61 g/mol, XLogP of 5.99, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 166110620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).