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

C57H51BrClF3N8O8 — CID 159834866

IUPACethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cn2cc(-c3ccc(F)c(C)c3)ccc2n1.CCOC(=O)c1cn2cc(Br)ccc2n1.Cc1cc(-c2ccc3nc(C(=O)O)cn3c2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl
InChIInChI=1S/C17H15FN2O2.C15H15FN2O2.C15H11FN2O2.C10H9BrN2O2.ClH/c1-3-22-17(21)15-10-20-9-13(5-7-16(20)19-15)12-4-6-14(18)11(2)8-12;2*1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h4-10H,3H2,1-2H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);2-8H,1H3,(H,19,20);3-6H,2H2,1H3;1H
InChIKeyWXNOARHKOCYPSL-UHFFFAOYSA-N
MW1148.43 g/mol
LogP12.23
Rot. Bonds9

About ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 159834866) has the molecular formula C57H51BrClF3N8O8 and a molecular weight of 1148.43 g/mol. Its IUPAC name is ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nameethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
PubChem CID159834866
Molecular FormulaC57H51BrClF3N8O8
Molecular Weight1148.43 g/mol
Exact Mass1146.27
IUPAC Nameethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
SMILESCCOC(=O)c1cn2cc(-c3ccc(F)c(C)c3)ccc2n1.CCOC(=O)c1cn2cc(Br)ccc2n1.Cc1cc(-c2ccc3nc(C(=O)O)cn3c2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl
InChIInChI=1S/C17H15FN2O2.C15H15FN2O2.C15H11FN2O2.C10H9BrN2O2.ClH/c1-3-22-17(21)15-10-20-9-13(5-7-16(20)19-15)12-4-6-14(18)11(2)8-12;2*1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h4-10H,3H2,1-2H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);2-8H,1H3,(H,19,20);3-6H,2H2,1H3;1H
InChIKeyWXNOARHKOCYPSL-UHFFFAOYSA-N
XLogP12.23
TPSA196.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001148.43
LogP ≤ 512.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

Lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;[6-[3-(fluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde
CID 157115869
Methyl 2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxylate;2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-8-carboxylic acid
CID 157832539
Lithium;alumane;3-bromo-2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;2-(difluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine;ethyl 6-bromoimidazo[1,2-a]pyrazine-2-carboxylate;ethyl 6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carboxylate;hydride;[3-(trifluoromethyl)phenyl]boronic acid;6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-2-carbaldehyde;[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-2-yl]methanol
CID 158192350
6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;[3-chloro-2-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]boronic acid;[3-chloro-6-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-[4-(3-fluoro-2-pyridinyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;3-fluoro-2-piperidin-4-ylpyridine;methyl 6-bromo-3-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;phenylboronic acid;hydrochloride
CID 158319554
8-Cyclopropyl-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-methylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-propan-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-2-carboxylic acid;6-(4-fluorophenyl)-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylic acid;methyl 8-bromo-6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 159628142
6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylic acid;5-bromopyridin-2-amine;(3S)-3-[2-[6-(3-cyanophenyl)-3-fluoroimidazo[1,2-a]pyridin-2-yl]-2-oxoethyl]pyrrolidine-1-carbonitrile;methyl 6-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;methyl 2-[(5-bromo-2-pyridinyl)imino]-3,3,3-trifluoropropanoate
CID 160355611
5-Bromo-3-(trifluoromethyl)pyridin-2-amine;3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;cyclopropylboronic acid;ethyl 3-bromo-2-oxopropanoate;ethyl 6-bromo-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-chloro-6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-cyclopropyl-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;3-(trifluoromethyl)pyridin-2-amine
CID 160358806
6-Aminopyridine-2-carboxylic acid;2-chloroacetaldehyde;methyl 6-amino-5-bromopyridine-2-carboxylate;methyl 6-aminopyridine-2-carboxylate;methyl 8-bromoimidazo[1,2-a]pyridine-5-carboxylate;bis(methyl 8-ethenylimidazo[1,2-a]pyridine-5-carboxylate);methyl 8-formylimidazo[1,2-a]pyridine-5-carboxylate;1-methyl-3-(trifluoromethyl)-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;tributyl(ethenyl)stannane
CID 160469246
3-benzyl-7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-bromo-2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;7-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;ethyl 7-ethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxylate;7-ethyl-8-(4-fluorophenyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-ethyl-3-methoxy-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;7-ethyl-3-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-ethyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;2-ethyl-7-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;7-ethyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
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8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]imidazo[1,2-a]pyrazine-2-carboxylic acid;8-amino-6-(3-fluorophenyl)-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-N-(oxolan-3-yl)imidazo[1,2-a]pyrazine-2-carboxamide
CID 161662061
Sodium;[3-(3-fluorophenyl)pyrrolidin-1-yl]-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methanone;methane;methyl 3-bromo-2-oxopropanoate;methyl 8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate;3-(trifluoromethyl)-1,2-dihydropyridin-2-amine;8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid;hydroxide
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6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;ethyl 8-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxylate
CID 69203272

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride (CID 159834866) is ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride is CCOC(=O)c1cn2cc(-c3ccc(F)c(C)c3)ccc2n1.CCOC(=O)c1cn2cc(Br)ccc2n1.Cc1cc(-c2ccc3nc(C(=O)O)cn3c2)ccc1F.Cc1cc(C2CCc3nc(C(=O)O)cn3C2)ccc1F.Cl.
What is the InChIKey of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is WXNOARHKOCYPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2.C15H15FN2O2.C15H11FN2O2.C10H9BrN2O2.ClH/c1-3-22-17(21)15-10-20-9-13(5-7-16(20)19-15)12-4-6-14(18)11(2)8-12;2*1-9-6-10(2-4-12(9)16)11-3-5-14-17-13(15(19)20)8-18(14)7-11;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;/h4-10H,3H2,1-2H3;2,4,6,8,11H,3,5,7H2,1H3,(H,19,20);2-8H,1H3,(H,19,20);3-6H,2H2,1H3;1H.
What are the key properties of ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-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-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 1148.43 g/mol, XLogP of 12.23, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylate;6-(4-fluoro-3-methylphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid;6-(4-fluoro-3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 159834866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).