6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C₅₄H₄₉Br₂F₅N₁₂OSi — CID 158596081

About 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 158596081) has the molecular formula C₅₄H₄₉Br₂F₅N₁₂OSi and a molecular weight of 1164.95 g/mol. Its IUPAC name is 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 158596081
• Molecular Formula: C₅₄H₄₉Br₂F₅N₁₂OSi
• Molecular Weight: 1164.95 g/mol
• Exact Mass: 1162.22
• IUPAC Name: 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Brc1ccc2nccn2c1.CC.C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(F)n3c2)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(F)n3c2)cc1.Fc1cnc2ccc(Br)cn12
• InChI: InChI=1S/C22H24F2N4OSi.C16H10F2N4.C7H4BrFN2.C7H5BrN2.C2H6/c1-30(2,3)11-10-29-15-27-14-19(22(26-27)16-4-7-18(23)8-5-16)17-6-9-21-25-12-20(24)28(21)13-17;17-12-4-1-10(2-5-12)16-13(7-20-21-16)11-3-6-15-19-8-14(18)22(15)9-11;8-5-1-2-7-10-3-6(9)11(7)4-5;8-6-1-2-7-9-3-4-10(7)5-6;1-2/h4-9,12-14H,10-11,15H2,1-3H3;1-9H,(H,20,21);1-4H;1-5H;1-2H3
• InChIKey: HVARLLPWWCWSBF-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 124.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.95
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

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-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 158596081) is 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is Brc1ccc2nccn2c1.CC.C[Si](C)(C)CCOCn1cc(-c2ccc3ncc(F)n3c2)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2-c2ccc3ncc(F)n3c2)cc1.Fc1cnc2ccc(Br)cn12.

What is the InChIKey of 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is HVARLLPWWCWSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4OSi.C16H10F2N4.C7H4BrFN2.C7H5BrN2.C2H6/c1-30(2,3)11-10-29-15-27-14-19(22(26-27)16-4-7-18(23)8-5-16)17-6-9-21-25-12-20(24)28(21)13-17;17-12-4-1-10(2-5-12)16-13(7-20-21-16)11-3-6-15-19-8-14(18)22(15)9-11;8-5-1-2-7-10-3-6(9)11(7)4-5;8-6-1-2-7-9-3-4-10(7)5-6;1-2/h4-9,12-14H,10-11,15H2,1-3H3;1-9H,(H,20,21);1-4H;1-5H;1-2H3.

What are the key properties of 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?

6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 1164.95 g/mol, XLogP of 14.48, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-3-fluoroimidazo[1,2-a]pyridine;6-bromoimidazo[1,2-a]pyridine;ethane;3-fluoro-6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;2-[[4-(3-fluoroimidazo[1,2-a]pyridin-6-yl)-3-(4-fluorophenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 158596081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158596081 — identifiers, structure, computed properties (public domain)

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