6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide

C59H75Br6N13O9S3 — CID 160629608

IUPAC6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide
SMILESCC.CC(C)(C)S(=O)N=Cc1cn2cc(Br)ccc2n1.CC(C)(C)[S@@](N)=O.CC(NS(=O)C(C)(C)C)c1cn2cc(Br)ccc2n1.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(Br)ccc2n1.Nc1ccc(Br)cn1.O=Cc1cn2cc(Br)ccc2n1
InChIInChI=1S/C13H18BrN3OS.C12H14BrN3OS.C10H9BrN2O2.C8H5BrN2O.C5H5BrN2.C5H7BrO3.C4H11NOS.C2H6/c1-9(16-19(18)13(2,3)4)11-8-17-7-10(14)5-6-12(17)15-11;1-12(2,3)18(17)14-6-10-8-16-7-9(13)4-5-11(16)15-10;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;9-6-1-2-8-10-7(5-12)4-11(8)3-6;6-4-1-2-5(7)8-3-4;1-2-9-5(8)4(7)3-6;1-4(2,3)7(5)6;1-2/h5-9,16H,1-4H3;4-8H,1-3H3;3-6H,2H2,1H3;1-5H;1-3H,(H2,7,8);2-3H2,1H3;5H2,1-3H3;1-2H3/t;;;;;;7-;/m......0./s1
InChIKeyRHTGANGVOJTNMN-KDCVMDMUSA-N
MW1685.96 g/mol
LogP13.74
Rot. Bonds11

About 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide

6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide (PubChem CID 160629608) has the molecular formula C59H75Br6N13O9S3 and a molecular weight of 1685.96 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide
PubChem CID160629608
Molecular FormulaC59H75Br6N13O9S3
Molecular Weight1685.96 g/mol
Exact Mass1679.01
IUPAC Name6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide
SMILESCC.CC(C)(C)S(=O)N=Cc1cn2cc(Br)ccc2n1.CC(C)(C)[S@@](N)=O.CC(NS(=O)C(C)(C)C)c1cn2cc(Br)ccc2n1.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(Br)ccc2n1.Nc1ccc(Br)cn1.O=Cc1cn2cc(Br)ccc2n1
InChIInChI=1S/C13H18BrN3OS.C12H14BrN3OS.C10H9BrN2O2.C8H5BrN2O.C5H5BrN2.C5H7BrO3.C4H11NOS.C2H6/c1-9(16-19(18)13(2,3)4)11-8-17-7-10(14)5-6-12(17)15-11;1-12(2,3)18(17)14-6-10-8-16-7-9(13)4-5-11(16)15-10;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;9-6-1-2-8-10-7(5-12)4-11(8)3-6;6-4-1-2-5(7)8-3-4;1-2-9-5(8)4(7)3-6;1-4(2,3)7(5)6;1-2/h5-9,16H,1-4H3;4-8H,1-3H3;3-6H,2H2,1H3;1-5H;1-3H,(H2,7,8);2-3H2,1H3;5H2,1-3H3;1-2H3/t;;;;;;7-;/m......0./s1
InChIKeyRHTGANGVOJTNMN-KDCVMDMUSA-N
XLogP13.74
TPSA296.47 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001685.96
LogP ≤ 513.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide with MolForge

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Related Compounds

CID 158460527
CID 158460527
2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper
CID 158581283
CID 158824936
CID 158824936
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 159170425
sodium;2-ethenyl-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxylate;methanamine;N-methyl-6-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-[(E)-2-(6-methyl-2-pyridinyl)ethenyl]imidazo[1,2-a]pyridine-3-carboxylic acid;molecular hydrogen;hydroxide
CID 161012322
2-bromo-6-methylpyridine;ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-imidazol-1-ylimidazo[1,2-a]pyridine-3-carboxylate;ethyl 6-[2-(6-methyl-2-pyridinyl)imidazol-1-yl]imidazo[1,2-a]pyridine-3-carboxylate;1H-imidazole;iodocopper;methane
CID 161757072
6-bromopyridin-2-amine;ethyl 5-bromo-3-fluoroimidazo[1,2-a]pyridine-2-carboxylate;ethyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;ethyl 3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carboxylate;3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine-2-carbaldehyde;(E)-4-[3-fluoro-5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;methane;1-methylpiperazine;3-methylpyridine-2-carbaldehyde
CID 167669962

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide?
The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide (CID 160629608) is 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide.
What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide?
The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide is CC.CC(C)(C)S(=O)N=Cc1cn2cc(Br)ccc2n1.CC(C)(C)[S@@](N)=O.CC(NS(=O)C(C)(C)C)c1cn2cc(Br)ccc2n1.CCOC(=O)C(=O)CBr.CCOC(=O)c1cn2cc(Br)ccc2n1.Nc1ccc(Br)cn1.O=Cc1cn2cc(Br)ccc2n1.
What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide?
The InChIKey is RHTGANGVOJTNMN-KDCVMDMUSA-N. The full InChI is InChI=1S/C13H18BrN3OS.C12H14BrN3OS.C10H9BrN2O2.C8H5BrN2O.C5H5BrN2.C5H7BrO3.C4H11NOS.C2H6/c1-9(16-19(18)13(2,3)4)11-8-17-7-10(14)5-6-12(17)15-11;1-12(2,3)18(17)14-6-10-8-16-7-9(13)4-5-11(16)15-10;1-2-15-10(14)8-6-13-5-7(11)3-4-9(13)12-8;9-6-1-2-8-10-7(5-12)4-11(8)3-6;6-4-1-2-5(7)8-3-4;1-2-9-5(8)4(7)3-6;1-4(2,3)7(5)6;1-2/h5-9,16H,1-4H3;4-8H,1-3H3;3-6H,2H2,1H3;1-5H;1-3H,(H2,7,8);2-3H2,1H3;5H2,1-3H3;1-2H3/t;;;;;;7-;/m......0./s1.
What are the key properties of 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide?
6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide has a molecular weight of 1685.96 g/mol, XLogP of 13.74, 11 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoimidazo[1,2-a]pyridine-2-carbaldehyde;N-[1-(6-bromoimidazo[1,2-a]pyridin-2-yl)ethyl]-2-methylpropane-2-sulfinamide;N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide;5-bromopyridin-2-amine;ethane;ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate;ethyl 3-bromo-2-oxopropanoate;(S)-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160629608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).