ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)

C108H93N29O9 — CID 158228431

About ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)

ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile) (PubChem CID 158228431) has the molecular formula C108H93N29O9 and a molecular weight of 1941.13 g/mol. Its IUPAC name is ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile).

Molecular Properties

• Compound Name: ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)
• PubChem CID: 158228431
• Molecular Formula: C108H93N29O9
• Molecular Weight: 1941.13 g/mol
• Exact Mass: 1939.77
• IUPAC Name: ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)
• SMILES: CCOC(=O)c1cnc2ccc(-c3ccc[nH]3)cn12.CCOC(=O)c1cnc2ccc(-c3cccn3C(=O)OC(C)(C)C)cn12.CCOC(=O)c1cnc2ccc(-n3ccnc3)cn12.Cc1cccc(-c2cncn2-c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=N/c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=N/c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(CC(=O)c2ccc3nccn3c2)n1
• InChI: InChI=1S/C19H21N3O4.C17H12N6.2C15H11N5.C15H13N3O.C14H13N3O2.C13H12N4O2/c1-5-25-17(23)15-11-20-16-9-8-13(12-22(15)16)14-7-6-10-21(14)18(24)26-19(2,3)4;1-12-3-2-4-15(21-12)16-9-19-11-23(16)13-5-6-17-20-8-14(7-18)22(17)10-13;2*1-11-3-2-4-12(19-11)8-17-13-5-6-15-18-9-14(7-16)20(15)10-13;1-11-3-2-4-13(17-11)9-14(19)12-5-6-15-16-7-8-18(15)10-12;1-2-19-14(18)12-8-16-13-6-5-10(9-17(12)13)11-4-3-7-15-11;1-2-19-13(18)11-7-15-12-4-3-10(8-17(11)12)16-6-5-14-9-16/h6-12H,5H2,1-4H3;2-6,8-11H,1H3;2*2-6,8-10H,1H3;2-8,10H,9H2,1H3;3-9,15H,2H2,1H3;3-9H,2H2,1H3/b;;2*17-8+
• InChIKey: GEBVUDUNRVXFRI-QOWPQZOISA-N
• XLogP: 18.51
• TPSA: 447.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 18
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1941.13
LogP ≤ 5	18.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)?

The IUPAC name of ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile) (CID 158228431) is ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile).

What is the SMILES notation for ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)?

The canonical SMILES for ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile) is CCOC(=O)c1cnc2ccc(-c3ccc[nH]3)cn12.CCOC(=O)c1cnc2ccc(-c3cccn3C(=O)OC(C)(C)C)cn12.CCOC(=O)c1cnc2ccc(-n3ccnc3)cn12.Cc1cccc(-c2cncn2-c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=N/c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(/C=N/c2ccc3ncc(C#N)n3c2)n1.Cc1cccc(CC(=O)c2ccc3nccn3c2)n1.

What is the InChIKey of ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)?

The InChIKey is GEBVUDUNRVXFRI-QOWPQZOISA-N. The full InChI is InChI=1S/C19H21N3O4.C17H12N6.2C15H11N5.C15H13N3O.C14H13N3O2.C13H12N4O2/c1-5-25-17(23)15-11-20-16-9-8-13(12-22(15)16)14-7-6-10-21(14)18(24)26-19(2,3)4;1-12-3-2-4-15(21-12)16-9-19-11-23(16)13-5-6-17-20-8-14(7-18)22(17)10-13;2*1-11-3-2-4-12(19-11)8-17-13-5-6-15-18-9-14(7-16)20(15)10-13;1-11-3-2-4-13(17-11)9-14(19)12-5-6-15-16-7-8-18(15)10-12;1-2-19-14(18)12-8-16-13-6-5-10(9-17(12)13)11-4-3-7-15-11;1-2-19-13(18)11-7-15-12-4-3-10(8-17(11)12)16-6-5-14-9-16/h6-12H,5H2,1-4H3;2-6,8-11H,1H3;2*2-6,8-10H,1H3;2-8,10H,9H2,1H3;3-9,15H,2H2,1H3;3-9H,2H2,1H3/b;;2*17-8+;;;.

What are the key properties of ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile)?

ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile) has a molecular weight of 1941.13 g/mol, XLogP of 18.51, 18 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]imidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine-3-carboxylate;1-imidazo[1,2-a]pyridin-6-yl-2-(6-methyl-2-pyridinyl)ethanone;6-[5-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carbonitrile;bis(6-[(6-methyl-2-pyridinyl)methylideneamino]imidazo[1,2-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 158228431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).