5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate

C69H81Br3N8O14 — CID 159262525

IUPAC5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate
SMILESCCCC(=O)C(=O)OCC.CCOC(=O)C(=O)C(Br)CC.CCOC(=O)c1nc2ccc(Br)cn2c1CC.CCOC(=O)c1nc2ccc(Cc3ccc(OC)cc3)cn2c1CC.CCc1c(C(=O)O)nc2ccc(Cc3ccc(OC)cc3)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C20H22N2O3.C18H18N2O3.C12H13BrN2O2.C7H11BrO3.C7H12O3.C5H5BrN2/c1-4-17-19(20(23)25-5-2)21-18-11-8-15(13-22(17)18)12-14-6-9-16(24-3)10-7-14;1-3-15-17(18(21)22)19-16-9-6-13(11-20(15)16)10-12-4-7-14(23-2)8-5-12;1-3-9-11(12(16)17-4-2)14-10-6-5-8(13)7-15(9)10;1-3-5(8)6(9)7(10)11-4-2;1-3-5-6(8)7(9)10-4-2;6-4-1-2-5(7)8-3-4/h6-11,13H,4-5,12H2,1-3H3;4-9,11H,3,10H2,1-2H3,(H,21,22);5-7H,3-4H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;1-3H,(H2,7,8)
InChIKeyKWRPZGIREXRWDF-UHFFFAOYSA-N
MW1486.16 g/mol
LogP13.34
Rot. Bonds22

About 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate

5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate (PubChem CID 159262525) has the molecular formula C69H81Br3N8O14 and a molecular weight of 1486.16 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate.

Molecular Properties

Compound Name5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate
PubChem CID159262525
Molecular FormulaC69H81Br3N8O14
Molecular Weight1486.16 g/mol
Exact Mass1482.34
IUPAC Name5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate
SMILESCCCC(=O)C(=O)OCC.CCOC(=O)C(=O)C(Br)CC.CCOC(=O)c1nc2ccc(Br)cn2c1CC.CCOC(=O)c1nc2ccc(Cc3ccc(OC)cc3)cn2c1CC.CCc1c(C(=O)O)nc2ccc(Cc3ccc(OC)cc3)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C20H22N2O3.C18H18N2O3.C12H13BrN2O2.C7H11BrO3.C7H12O3.C5H5BrN2/c1-4-17-19(20(23)25-5-2)21-18-11-8-15(13-22(17)18)12-14-6-9-16(24-3)10-7-14;1-3-15-17(18(21)22)19-16-9-6-13(11-20(15)16)10-12-4-7-14(23-2)8-5-12;1-3-9-11(12(16)17-4-2)14-10-6-5-8(13)7-15(9)10;1-3-5(8)6(9)7(10)11-4-2;1-3-5-6(8)7(9)10-4-2;6-4-1-2-5(7)8-3-4/h6-11,13H,4-5,12H2,1-3H3;4-9,11H,3,10H2,1-2H3,(H,21,22);5-7H,3-4H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;1-3H,(H2,7,8)
InChIKeyKWRPZGIREXRWDF-UHFFFAOYSA-N
XLogP13.34
TPSA285.91 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001486.16
LogP ≤ 513.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(3,5-Dibromo-4-hydroxyphenyl)-(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone;(2-ethyl-7-methylimidazo[1,2-a]pyrimidin-3-yl)-(4-methoxyphenyl)methanone;ethyl propanoate;1-(4-methoxyphenyl)ethanone;1-(4-methoxyphenyl)pentane-1,3-dione;4-(trifluoromethyl)pyrimidin-2-amine
CID 158560634
CID 161271581
CID 161271581
Lithium;ethyl 2-bromo-3-oxopentanoate;ethyl 2-ethylimidazo[1,2-a]pyrimidine-3-carboxylate;2-ethylimidazo[1,2-a]pyrimidine-3-carboxylic acid;(2-ethylimidazo[1,2-a]pyrimidin-3-yl)-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]methanone;pyrimidin-2-amine;4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidine;hydroxide
CID 162024641
2-(6-Amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[7-ethoxy-2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;ethyl 3-bromo-2-oxopropanoate;ethyl 7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 164969705
6-Bromo-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridine;6,8-dibromo-2,3-dimethylimidazo[1,2-a]pyridine;3,5-dibromopyridin-2-amine;1-(2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-6-yl)ethanone
CID 91188502
8-[(2,6-Difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylic acid;10-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-10-oxodecanoic acid;ethyl 8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate;methyl 8-aminooctanoate;methyl 10-[8-[(2,6-difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-10-oxodecanoate
CID 157152611
2-Bromocycloheptane-1,3-dione;4-bromo-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one;4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene;4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-ol;cycloheptane-1,3-dione
CID 157223962
3-[(5-Bromo-2-methoxyphenyl)methyl]-2-(chloromethyl)imidazo[1,2-a]pyridine;[3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-2-yl]methanol;dichloromethane;ethanol;ethyl 3-bromo-4-(5-bromo-2-methoxyphenyl)-2-oxobutanoate;ethyl 3-[(5-bromo-2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;ethyl 4-(2-methoxyphenyl)-2-oxobutanoate;ethyl 3-(2-methoxyphenyl)propanoate;4-(2-methoxyphenyl)-2-oxobutanoic acid;3-(2-methoxyphenyl)propanoic acid;molecular bromine;pyridin-2-amine;sulfuric acid;thionyl dichloride
CID 157517674
5-bromo-2-methoxypyridine;2-chloro-5-cyclobutylpyridine;cyclobutylboronic acid;4-cyclobutylcyclohexa-2,4-dien-1-one;5-cyclobutyl-2-methoxypyridine;5-cyclobutylpyridin-2-amine;N-(5-cyclobutyl-2-pyridinyl)-1,1-diphenylmethanimine;ethyl 3-bromo-2-oxopropanoate;ethyl 6-cyclobutylimidazo[1,2-a]pyridine-2-carboxylate
CID 158139260
3-Bromopyridin-2-amine;ethyl 8-amino-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 2-bromo-3-oxo-3-phenylpropanoate;ethyl 8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylate;6-morpholin-4-ylpyridin-3-amine;8-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 158520936
CID 158734178
CID 158734178
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

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate?
The IUPAC name of 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate (CID 159262525) is 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate.
What is the SMILES notation for 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate?
The canonical SMILES for 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate is CCCC(=O)C(=O)OCC.CCOC(=O)C(=O)C(Br)CC.CCOC(=O)c1nc2ccc(Br)cn2c1CC.CCOC(=O)c1nc2ccc(Cc3ccc(OC)cc3)cn2c1CC.CCc1c(C(=O)O)nc2ccc(Cc3ccc(OC)cc3)cn12.Nc1ccc(Br)cn1.
What is the InChIKey of 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate?
The InChIKey is KWRPZGIREXRWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.C18H18N2O3.C12H13BrN2O2.C7H11BrO3.C7H12O3.C5H5BrN2/c1-4-17-19(20(23)25-5-2)21-18-11-8-15(13-22(17)18)12-14-6-9-16(24-3)10-7-14;1-3-15-17(18(21)22)19-16-9-6-13(11-20(15)16)10-12-4-7-14(23-2)8-5-12;1-3-9-11(12(16)17-4-2)14-10-6-5-8(13)7-15(9)10;1-3-5(8)6(9)7(10)11-4-2;1-3-5-6(8)7(9)10-4-2;6-4-1-2-5(7)8-3-4/h6-11,13H,4-5,12H2,1-3H3;4-9,11H,3,10H2,1-2H3,(H,21,22);5-7H,3-4H2,1-2H3;5H,3-4H2,1-2H3;3-5H2,1-2H3;1-3H,(H2,7,8).
What are the key properties of 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate?
5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate has a molecular weight of 1486.16 g/mol, XLogP of 13.34, 22 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-2-amine;ethyl 6-bromo-3-ethylimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopentanoate;ethyl 3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylate;3-ethyl-6-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid;ethyl 2-oxopentanoate is sourced from PubChem (CID 159262525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).