5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one

C62H66Br4Cl3N13O7 — CID 159586420

IUPAC5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one
SMILESCC(=O)/C=C/c1cn2c(Br)cccc2n1.CC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C=O.Nc1cccc(Br)n1.O=C(CCl)C(Cl)Cl.O=Cc1cn2c(Br)cccc2n1
InChIInChI=1S/C19H19BrN4O.C11H9BrN2O.C9H18N2O2.C8H5BrN2O.C7H7NO.C5H5BrN2.C3H3Cl3O/c1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-8(15)5-6-9-7-14-10(12)3-2-4-11(14)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-7-2-1-3-8-10-6(5-12)4-11(7)8;1-6-3-2-4-8-7(6)5-9;6-4-2-1-3-5(7)8-4;4-1-2(7)3(5)6/h3-8,11,15-16H,9-10H2,1-2H3;2-7H,1H3;10H,4-7H2,1-3H3;1-5H;2-5H,1H3;1-3H,(H2,7,8);3H,1H2/b;6-5+;;;;;
InChIKeyMJRDAQFLKWJMKZ-ISUIKAKQSA-N
MW1531.27 g/mol
LogP13.54
Rot. Bonds8

About 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one

5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one (PubChem CID 159586420) has the molecular formula C62H66Br4Cl3N13O7 and a molecular weight of 1531.27 g/mol. Its IUPAC name is 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one.

Molecular Properties

Compound Name5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one
PubChem CID159586420
Molecular FormulaC62H66Br4Cl3N13O7
Molecular Weight1531.27 g/mol
Exact Mass1525.10
IUPAC Name5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one
SMILESCC(=O)/C=C/c1cn2c(Br)cccc2n1.CC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C=O.Nc1cccc(Br)n1.O=C(CCl)C(Cl)Cl.O=Cc1cn2c(Br)cccc2n1
InChIInChI=1S/C19H19BrN4O.C11H9BrN2O.C9H18N2O2.C8H5BrN2O.C7H7NO.C5H5BrN2.C3H3Cl3O/c1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-8(15)5-6-9-7-14-10(12)3-2-4-11(14)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-7-2-1-3-8-10-6(5-12)4-11(7)8;1-6-3-2-4-8-7(6)5-9;6-4-2-1-3-5(7)8-4;4-1-2(7)3(5)6/h3-8,11,15-16H,9-10H2,1-2H3;2-7H,1H3;10H,4-7H2,1-3H3;1-5H;2-5H,1H3;1-3H,(H2,7,8);3H,1H2/b;6-5+;;;;;
InChIKeyMJRDAQFLKWJMKZ-ISUIKAKQSA-N
XLogP13.54
TPSA246.75 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds8
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001531.27
LogP ≤ 513.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one with MolForge

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Related Compounds

3-bromo-2-(4-chlorophenyl)-8-[[(3S)-piperidin-3-yl]amino]imidazo[1,2-a]pyrazine-5-carboxamide;tert-butyl (3S)-3-[[3-bromo-2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(4-chlorophenyl)-5-cyanoimidazo[1,2-a]pyrazin-8-yl]amino]piperidine-1-carboxylate
CID 157163883
1-(6-amino-3-pyridinyl)ethanone;1-[3-bromo-2-(bromomethyl)imidazo[1,2-a]pyridin-6-yl]ethanone;1-[3-bromo-2-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]ethanone;1-(3-bromo-2-methylimidazo[1,2-a]pyridin-6-yl)ethanone;tert-butyl N-[(6-acetyl-3-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;bis(tert-butyl N-[(3-bromo-6-carbamoylimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate);tert-butyl N-[(6-isocyanoimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-chloropropan-2-one;1-(6-isocyanoimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine;methanamine;1-(2-methylimidazo[1,2-a]pyridin-6-yl)ethanone;molecular bromine
CID 157577190
methane;(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde
CID 158707733
5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl 4-[2-[1-methyl-6-(3-methyl-2-pyridinyl)-4-oxopiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazine-1-carboxylate;tert-butyl 4-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one
CID 160020163
1-(6-amino-3-pyridinyl)ethanone;1-[3-bromo-2-(bromomethyl)imidazo[1,2-a]pyridin-6-yl]ethanone;1-[3-bromo-2-(methylaminomethyl)imidazo[1,2-a]pyridin-6-yl]ethanone;1-(3-bromo-2-methylimidazo[1,2-a]pyridin-6-yl)ethanone;tert-butyl N-[(6-acetyl-3-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;tert-butyl N-[(3-bromo-6-carbamoylimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;tert-butyl N-[(3-bromo-6-isocyanoimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;tert-butyl N-[(6-isocyanoimidazo[1,2-a]pyridin-2-yl)methyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;1-chloropropan-2-one;1-(6-isocyanoimidazo[1,2-a]pyridin-2-yl)-N-methylmethanamine;methanamine;1-(2-methylimidazo[1,2-a]pyridin-6-yl)ethanone;molecular bromine
CID 160529011
(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde
CID 160669821
2-(5-Bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl piperazine-1-carboxylate;1-methyl-2-(3-methyl-2-pyridinyl)-6-(5-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl)piperidin-4-one
CID 161019278
1-(6-bromo-3-pyridinyl)-2-chloroethanone;N-(6-bromo-3-pyridinyl)-2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]acetamide;4-bromo-1H-pyrrolo[2,3-b]pyridine;(2-methyl-4-pyridinyl)boronic acid;4-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridine;2-[4-(2-methyl-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]-N-(6-pyrazin-2-yl-3-pyridinyl)acetamide;toluene
CID 161435933
2-(5-Bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;tert-butyl 4-[2-[1-methyl-6-(3-methyl-2-pyridinyl)-4-oxopiperidin-2-yl]imidazo[1,2-a]pyridin-5-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 161780396
tert-butyl 4-(6-bromo-8-methyl-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl)-4-fluoropiperidine-1-carboxylate;tert-butyl 4-fluoro-4-[8-methyl-6-(2-methylimidazo[1,2-a]pyridin-6-yl)-4-oxo-3H-pyrido[3,2-d]pyrimidin-2-yl]piperidine-1-carboxylate;8-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine
CID 167632399
7-[[6-[(Z)-1-amino-3-[[(2S)-azepan-2-yl]methylimino]prop-1-enyl]-3-pyridinyl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;7-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde;(Z)-3-[[(2S)-1-methylpyrrolidin-2-yl]methylimino]-2-phenylprop-1-en-1-amine
CID 170977906

Frequently Asked Questions

What is the IUPAC name of 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one?
The IUPAC name of 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one (CID 159586420) is 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one.
What is the SMILES notation for 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one?
The canonical SMILES for 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one is CC(=O)/C=C/c1cn2c(Br)cccc2n1.CC(C)(C)OC(=O)N1CCNCC1.Cc1cccnc1C1CC(=O)CC(c2cn3c(Br)cccc3n2)N1C.Cc1cccnc1C=O.Nc1cccc(Br)n1.O=C(CCl)C(Cl)Cl.O=Cc1cn2c(Br)cccc2n1.
What is the InChIKey of 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one?
The InChIKey is MJRDAQFLKWJMKZ-ISUIKAKQSA-N. The full InChI is InChI=1S/C19H19BrN4O.C11H9BrN2O.C9H18N2O2.C8H5BrN2O.C7H7NO.C5H5BrN2.C3H3Cl3O/c1-12-5-4-8-21-19(12)16-10-13(25)9-15(23(16)2)14-11-24-17(20)6-3-7-18(24)22-14;1-8(15)5-6-9-7-14-10(12)3-2-4-11(14)13-9;1-9(2,3)13-8(12)11-6-4-10-5-7-11;9-7-2-1-3-8-10-6(5-12)4-11(7)8;1-6-3-2-4-8-7(6)5-9;6-4-2-1-3-5(7)8-4;4-1-2(7)3(5)6/h3-8,11,15-16H,9-10H2,1-2H3;2-7H,1H3;10H,4-7H2,1-3H3;1-5H;2-5H,1H3;1-3H,(H2,7,8);3H,1H2/b;6-5+;;;;;.
What are the key properties of 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one?
5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one has a molecular weight of 1531.27 g/mol, XLogP of 13.54, 8 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-(5-bromoimidazo[1,2-a]pyridin-2-yl)but-3-en-2-one;2-(5-bromoimidazo[1,2-a]pyridin-2-yl)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-4-one;6-bromopyridin-2-amine;tert-butyl piperazine-1-carboxylate;3-methylpyridine-2-carbaldehyde;1,1,3-trichloropropan-2-one is sourced from PubChem (CID 159586420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).