About 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 153434198) has the molecular formula C24H26FN5OSi
and a molecular weight of 447.59 g/mol. Its IUPAC name is 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
Molecular Properties
| Compound Name | 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile |
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| PubChem CID | 153434198 |
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| Molecular Formula | C24H26FN5OSi |
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| Molecular Weight | 447.59 g/mol |
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| Exact Mass | 447.19 |
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| IUPAC Name | 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile |
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| SMILES | Cc1cc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3ncc(C#N)n3c2)ccc1F |
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| InChI | InChI=1S/C24H26FN5OSi/c1-17-11-18(5-7-22(17)25)24-21(15-29(28-24)16-31-9-10-32(2,3)4)19-6-8-23-27-13-20(12-26)30(23)14-19/h5-8,11,13-15H,9-10,16H2,1-4H3 |
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| InChIKey | MJXGSZZGNIZZLX-UHFFFAOYSA-N |
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| XLogP | 5.50 |
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| TPSA | 68.14 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 | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 447.59 |
| LogP ≤ 5 | 5.50 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 153434198) is 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3ncc(C#N)n3c2)ccc1F.
What is the InChIKey of 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is MJXGSZZGNIZZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5OSi/c1-17-11-18(5-7-22(17)25)24-21(15-29(28-24)16-31-9-10-32(2,3)4)19-6-8-23-27-13-20(12-26)30(23)14-19/h5-8,11,13-15H,9-10,16H2,1-4H3.
What are the key properties of 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?
6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 447.59 g/mol, XLogP of 5.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 153434198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).