ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride

C63H66BrClN8O11 — CID 158810826

About ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride

ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 158810826) has the molecular formula C63H66BrClN8O11 and a molecular weight of 1226.62 g/mol. Its IUPAC name is ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
• PubChem CID: 158810826
• Molecular Formula: C63H66BrClN8O11
• Molecular Weight: 1226.62 g/mol
• Exact Mass: 1224.37
• IUPAC Name: ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
• SMILES: CCOC(=O)c1cn2cc(-c3cc(C)c(OC)c(C)c3)ccc2n1.CCOC(=O)c1cn2cc(Br)ccc2n1.COc1c(C)cc(-c2ccc3nc(C(=O)O)cn3c2)cc1C.COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C.Cl
• InChI: InChI=1S/C19H20N2O3.C17H20N2O3.C17H16N2O3.C10H9BrN2O2.ClH/c1-5-24-19(22)16-11-21-10-14(6-7-17(21)20-16)15-8-12(2)18(23-4)13(3)9-15;2*1-10-6-13(7-11(2)16(10)22-3)12-4-5-15-18-14(17(20)21)9-19(15)8-12;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h6-11H,5H2,1-4H3;6-7,9,12H,4-5,8H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,20,21);3-6H,2H2,1H3;1H
• InChIKey: JVDWBQNGFZMTAT-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 224.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1226.62
LogP ≤ 5	12.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride?

The IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride (CID 158810826) is ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride.

What is the SMILES notation for ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride?

The canonical SMILES for ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride is CCOC(=O)c1cn2cc(-c3cc(C)c(OC)c(C)c3)ccc2n1.CCOC(=O)c1cn2cc(Br)ccc2n1.COc1c(C)cc(-c2ccc3nc(C(=O)O)cn3c2)cc1C.COc1c(C)cc(C2CCc3nc(C(=O)O)cn3C2)cc1C.Cl.

What is the InChIKey of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride?

The InChIKey is JVDWBQNGFZMTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.C17H20N2O3.C17H16N2O3.C10H9BrN2O2.ClH/c1-5-24-19(22)16-11-21-10-14(6-7-17(21)20-16)15-8-12(2)18(23-4)13(3)9-15;2*1-10-6-13(7-11(2)16(10)22-3)12-4-5-15-18-14(17(20)21)9-19(15)8-12;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h6-11H,5H2,1-4H3;6-7,9,12H,4-5,8H2,1-3H3,(H,20,21);4-9H,1-3H3,(H,20,21);3-6H,2H2,1H3;1H.

What are the key properties of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride?

ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 1226.62 g/mol, XLogP of 12.76, 12 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-methoxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-methoxy-3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158810826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).