2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C22H23FN6OSi — CID 153434279

About 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434279) has the molecular formula C22H23FN6OSi and a molecular weight of 434.55 g/mol. Its IUPAC name is 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 153434279
• Molecular Formula: C22H23FN6OSi
• Molecular Weight: 434.55 g/mol
• Exact Mass: 434.17
• IUPAC Name: 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: [C-]#[N+]c1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3cccc(F)n3)cn12
• InChI: InChI=1S/C22H23FN6OSi/c1-24-21-12-25-20-9-8-16(13-29(20)21)17-14-28(15-30-10-11-31(2,3)4)27-22(17)18-6-5-7-19(23)26-18/h5-9,12-14H,10-11,15H2,2-4H3
• InChIKey: OKBOAUSZVJDGDK-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 61.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.55
LogP ≤ 5	5.26
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434279) is 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is [C-]#[N+]c1cnc2ccc(-c3cn(COCC[Si](C)(C)C)nc3-c3cccc(F)n3)cn12.

What is the InChIKey of 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is OKBOAUSZVJDGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6OSi/c1-24-21-12-25-20-9-8-16(13-29(20)21)17-14-28(15-30-10-11-31(2,3)4)27-22(17)18-6-5-7-19(23)26-18/h5-9,12-14H,10-11,15H2,2-4H3.

What are the key properties of 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 434.55 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(6-fluoro-2-pyridinyl)-4-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).