About 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140850931) has the molecular formula C24H26BrFN4O2Si
and a molecular weight of 529.49 g/mol. Its IUPAC name is 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 140850931 |
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| Molecular Formula | C24H26BrFN4O2Si |
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| Molecular Weight | 529.49 g/mol |
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| Exact Mass | 528.10 |
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| IUPAC Name | 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | COc1cccc(F)c1-c1cc2c(-c3cccc(Br)n3)nn(COCC[Si](C)(C)C)c2cn1 |
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| InChI | InChI=1S/C24H26BrFN4O2Si/c1-31-21-9-5-7-17(26)23(21)19-13-16-20(14-27-19)30(15-32-11-12-33(2,3)4)29-24(16)18-8-6-10-22(25)28-18/h5-10,13-14H,11-12,15H2,1-4H3 |
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| InChIKey | DKNZORMGLWTMMM-UHFFFAOYSA-N |
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| XLogP | 6.38 |
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| TPSA | 62.06 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 529.49 |
| LogP ≤ 5 | 6.38 |
| 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-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 140850931) is 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(F)c1-c1cc2c(-c3cccc(Br)n3)nn(COCC[Si](C)(C)C)c2cn1.
What is the InChIKey of 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DKNZORMGLWTMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrFN4O2Si/c1-31-21-9-5-7-17(26)23(21)19-13-16-20(14-27-19)30(15-32-11-12-33(2,3)4)29-24(16)18-8-6-10-22(25)28-18/h5-10,13-14H,11-12,15H2,1-4H3.
What are the key properties of 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 529.49 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-bromo-2-pyridinyl)-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140850931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).