Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane

C₄₃H₃₇F₂N₇O₃ — CID 158211118

About Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane

Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane (PubChem CID 158211118) has the molecular formula C₄₃H₃₇F₂N₇O₃ and a molecular weight of 737.81 g/mol. Its IUPAC name is ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane.

Molecular Properties

• Compound Name: Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane
• PubChem CID: 158211118
• Molecular Formula: C₄₃H₃₇F₂N₇O₃
• Molecular Weight: 737.81 g/mol
• Exact Mass: 737.29
• IUPAC Name: ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane
• SMILES: C.CCO.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12
• InChI: InChI=1S/C20H13FN4.C20H14FN3O2.C2H6O.CH4/c1-13-10-14(5-7-17(13)21)20-16(4-3-9-23-20)15-6-8-18-24-11-19(22-2)25(18)12-15;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14;1-2-3;/h3-12H,1H3;2-11H,1H3,(H,25,26);3H,2H2,1H3;1H4
• InChIKey: GCBZVVKCVGGHHR-UHFFFAOYSA-N
• XLogP: 9.91
• TPSA: 122.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.81
LogP ≤ 5	9.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane?

The IUPAC name of Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane (CID 158211118) is ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane.

What is the SMILES notation for Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane?

The canonical SMILES for Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane is C.CCO.Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)O)n3c2)ccc1F.[C-]#[N+]c1cnc2ccc(-c3cccnc3-c3ccc(F)c(C)c3)cn12.

What is the InChIKey of Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane?

The InChIKey is GCBZVVKCVGGHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4.C20H14FN3O2.C2H6O.CH4/c1-13-10-14(5-7-17(13)21)20-16(4-3-9-23-20)15-6-8-18-24-11-19(22-2)25(18)12-15;1-12-9-13(4-6-16(12)21)19-15(3-2-8-22-19)14-5-7-18-23-10-17(20(25)26)24(18)11-14;1-2-3;/h3-12H,1H3;2-11H,1H3,(H,25,26);3H,2H2,1H3;1H4.

What are the key properties of Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane?

Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane has a molecular weight of 737.81 g/mol, XLogP of 9.91, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Ethanol;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;methane is sourced from PubChem (CID 158211118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158211118 — identifiers, structure, computed properties (public domain)

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