About 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane
2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 86688652) has the molecular formula C24H27ClFN5OSi
and a molecular weight of 484.05 g/mol. Its IUPAC name is 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
Molecular Properties
| Compound Name | 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| PubChem CID | 86688652 |
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| Molecular Formula | C24H27ClFN5OSi |
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| Molecular Weight | 484.05 g/mol |
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| Exact Mass | 483.17 |
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| IUPAC Name | 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane |
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| SMILES | Cc1cnc(F)cc1-n1cc(-c2nccn2COCC[Si](C)(C)C)c(-c2ccccc2Cl)n1 |
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| InChI | InChI=1S/C24H27ClFN5OSi/c1-17-14-28-22(26)13-21(17)31-15-19(23(29-31)18-7-5-6-8-20(18)25)24-27-9-10-30(24)16-32-11-12-33(2,3)4/h5-10,13-15H,11-12,16H2,1-4H3 |
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| InChIKey | BSQZJJFHZKYSHJ-UHFFFAOYSA-N |
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| XLogP | 6.21 |
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| TPSA | 57.76 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
1 violation
| Rule | Value |
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| MW ≤ 500 | 484.05 |
| LogP ≤ 5 | 6.21 |
| 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-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 86688652) is 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1cnc(F)cc1-n1cc(-c2nccn2COCC[Si](C)(C)C)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BSQZJJFHZKYSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN5OSi/c1-17-14-28-22(26)13-21(17)31-15-19(23(29-31)18-7-5-6-8-20(18)25)24-27-9-10-30(24)16-32-11-12-33(2,3)4/h5-10,13-15H,11-12,16H2,1-4H3.
What are the key properties of 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 484.05 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[3-(2-chlorophenyl)-1-(2-fluoro-5-methyl-4-pyridinyl)pyrazol-4-yl]imidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 86688652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).