About 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 71253450) has the molecular formula C22H23BrFN5OSi
and a molecular weight of 500.45 g/mol. Its IUPAC name is 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 71253450 |
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| Molecular Formula | C22H23BrFN5OSi |
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| Molecular Weight | 500.45 g/mol |
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| Exact Mass | 499.08 |
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| IUPAC Name | 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | C[Si](C)(C)CCOCn1nc(-c2ccc(Br)c(F)n2)c2cc(-c3cccnc3)ncc21 |
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| InChI | InChI=1S/C22H23BrFN5OSi/c1-31(2,3)10-9-30-14-29-20-13-26-19(15-5-4-8-25-12-15)11-16(20)21(28-29)18-7-6-17(23)22(24)27-18/h4-8,11-13H,9-10,14H2,1-3H3 |
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| InChIKey | HQJYLGRZOVOLOI-UHFFFAOYSA-N |
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| XLogP | 5.77 |
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| TPSA | 65.72 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 31 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 500.45 |
| LogP ≤ 5 | 5.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 71253450) is 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccc(Br)c(F)n2)c2cc(-c3cccnc3)ncc21.
What is the InChIKey of 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HQJYLGRZOVOLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrFN5OSi/c1-31(2,3)10-9-30-14-29-20-13-26-19(15-5-4-8-25-12-15)11-16(20)21(28-29)18-7-6-17(23)22(24)27-18/h4-8,11-13H,9-10,14H2,1-3H3.
What are the key properties of 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 500.45 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(5-bromo-6-fluoro-2-pyridinyl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71253450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).