6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

C26H30FN5OSi — CID 151926075

About 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile

6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 151926075) has the molecular formula C26H30FN5OSi and a molecular weight of 475.64 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
• PubChem CID: 151926075
• Molecular Formula: C26H30FN5OSi
• Molecular Weight: 475.64 g/mol
• Exact Mass: 475.22
• IUPAC Name: 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
• SMILES: CC(C)c1c(-c2ccc3ncc(C#N)n3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C
• InChI: InChI=1S/C26H30FN5OSi/c1-18(2)26-24(20-8-11-23-29-15-22(14-28)31(23)16-20)25(19-6-9-21(27)10-7-19)30-32(26)17-33-12-13-34(3,4)5/h6-11,15-16,18H,12-13,17H2,1-5H3
• InChIKey: SXTYQLLSOZANGT-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 68.14 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.64
LogP ≤ 5	6.31
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-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 151926075) is 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is CC(C)c1c(-c2ccc3ncc(C#N)n3c2)c(-c2ccc(F)cc2)nn1COCC[Si](C)(C)C.

What is the InChIKey of 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?

The InChIKey is SXTYQLLSOZANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5OSi/c1-18(2)26-24(20-8-11-23-29-15-22(14-28)31(23)16-20)25(19-6-9-21(27)10-7-19)30-32(26)17-33-12-13-34(3,4)5/h6-11,15-16,18H,12-13,17H2,1-5H3.

What are the key properties of 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile?

6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 475.64 g/mol, XLogP of 6.31, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-fluorophenyl)-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 151926075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).