6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C24H26FN5OSi — CID 153434198

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
• PubChem CID: 153434198
• Molecular Formula: C24H26FN5OSi
• Molecular Weight: 447.59 g/mol
• Exact Mass: 447.19
• IUPAC Name: 6-[3-(4-fluoro-3-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: Cc1cc(-c2nn(COCC[Si](C)(C)C)cc2-c2ccc3ncc(C#N)n3c2)ccc1F
• 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
• InChIKey: MJXGSZZGNIZZLX-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 68.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
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'}

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).