About 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane
2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane (PubChem CID 154689234) has the molecular formula C26H40FN3O3Si2
and a molecular weight of 517.79 g/mol. Its IUPAC name is 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 154689234 |
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| Molecular Formula | C26H40FN3O3Si2 |
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| Molecular Weight | 517.79 g/mol |
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| Exact Mass | 517.26 |
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| IUPAC Name | 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cnc2cn(COCC[Si](C)(C)C)nc2c1 |
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| InChI | InChI=1S/C26H40FN3O3Si2/c1-8-20-14-26(33-19-32-10-12-35(5,6)7)23(27)15-22(20)21-13-24-25(28-16-21)17-30(29-24)18-31-9-11-34(2,3)4/h13-17H,8-12,18-19H2,1-7H3 |
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| InChIKey | BQVBUIDLBMXPGK-UHFFFAOYSA-N |
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| XLogP | 6.80 |
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| TPSA | 58.40 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 517.79 |
| LogP ≤ 5 | 6.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane (CID 154689234) is 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1cnc2cn(COCC[Si](C)(C)C)nc2c1.
What is the InChIKey of 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BQVBUIDLBMXPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40FN3O3Si2/c1-8-20-14-26(33-19-32-10-12-35(5,6)7)23(27)15-22(20)21-13-24-25(28-16-21)17-30(29-24)18-31-9-11-34(2,3)4/h13-17H,8-12,18-19H2,1-7H3.
What are the key properties of 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 517.79 g/mol, XLogP of 6.80, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]pyrazolo[4,3-b]pyridin-2-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 154689234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).