8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate

C70H58Cl3N21O12 — CID 157133261

About 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate

8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 157133261) has the molecular formula C70H58Cl3N21O12 and a molecular weight of 1491.73 g/mol. Its IUPAC name is 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 157133261
• Molecular Formula: C70H58Cl3N21O12
• Molecular Weight: 1491.73 g/mol
• Exact Mass: 1489.36
• IUPAC Name: 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cn2cccc(C(=O)O)c2n1.CCOC(=O)c1cn2cccc(C3=NC(Cl)C=N3)c2n1.Cc1cccc(-n2cc(CNC(=O)c3cn4cccc(C5=NC(Cl)C=N5)c4n3)cn2)c1.O=C(O)c1cn2cccc(C3=NC(Cl)C=N3)c2n1.[C-]#[N+]CNC(=O)c1cccn2cc(C(=O)OCC)nc12
• InChI: InChI=1S/C22H18ClN7O.C13H11ClN4O2.C13H12N4O3.C11H7ClN4O2.C11H10N2O4/c1-14-4-2-5-16(8-14)30-12-15(10-26-30)9-25-22(31)18-13-29-7-3-6-17(21(29)27-18)20-24-11-19(23)28-20;1-2-20-13(19)9-7-18-5-3-4-8(12(18)16-9)11-15-6-10(14)17-11;1-3-20-13(19)10-7-17-6-4-5-9(11(17)16-10)12(18)15-8-14-2;12-8-4-13-9(15-8)6-2-1-3-16-5-7(11(17)18)14-10(6)16;1-2-17-11(16)8-6-13-5-3-4-7(10(14)15)9(13)12-8/h2-8,10-13,19H,9H2,1H3,(H,25,31);3-7,10H,2H2,1H3;4-7H,3,8H2,1H3,(H,15,18);1-5,8H,(H,17,18);3-6H,2H2,1H3,(H,14,15)
• InChIKey: AJHZDCBVUZJSNZ-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 394.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1491.73
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 157133261) is 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cccc(C(=O)O)c2n1.CCOC(=O)c1cn2cccc(C3=NC(Cl)C=N3)c2n1.Cc1cccc(-n2cc(CNC(=O)c3cn4cccc(C5=NC(Cl)C=N5)c4n3)cn2)c1.O=C(O)c1cn2cccc(C3=NC(Cl)C=N3)c2n1.[C-]#[N+]CNC(=O)c1cccn2cc(C(=O)OCC)nc12.

What is the InChIKey of 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is AJHZDCBVUZJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN7O.C13H11ClN4O2.C13H12N4O3.C11H7ClN4O2.C11H10N2O4/c1-14-4-2-5-16(8-14)30-12-15(10-26-30)9-25-22(31)18-13-29-7-3-6-17(21(29)27-18)20-24-11-19(23)28-20;1-2-20-13(19)9-7-18-5-3-4-8(12(18)16-9)11-15-6-10(14)17-11;1-3-20-13(19)10-7-17-6-4-5-9(11(17)16-10)12(18)15-8-14-2;12-8-4-13-9(15-8)6-2-1-3-16-5-7(11(17)18)14-10(6)16;1-2-17-11(16)8-6-13-5-3-4-7(10(14)15)9(13)12-8/h2-8,10-13,19H,9H2,1H3,(H,25,31);3-7,10H,2H2,1H3;4-7H,3,8H2,1H3,(H,15,18);1-5,8H,(H,17,18);3-6H,2H2,1H3,(H,14,15).

What are the key properties of 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate?

8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 1491.73 g/mol, XLogP of 8.82, 17 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylic acid;8-(4-chloro-4H-imidazol-2-yl)-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;2-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid;ethyl 8-(4-chloro-4H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 8-(isocyanomethylcarbamoyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 157133261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).