2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine

C40H44Br3N7O2 — CID 161297796

IUPAC2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)C(C)Br.Cc1cccc(-c2ccccc2-c2ccc3ncc(C)n3c2)n1.Cc1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C20H17N3.C8H7BrN2.C7H15BrO2.C5H5BrN2/c1-14-6-5-9-19(22-14)18-8-4-3-7-17(18)16-10-11-20-21-12-15(2)23(20)13-16;1-6-4-10-8-3-2-7(9)5-11(6)8;1-4-9-7(6(3)8)10-5-2;6-4-1-2-5(7)8-3-4/h3-13H,1-2H3;2-5H,1H3;6-7H,4-5H2,1-3H3;1-3H,(H2,7,8)
InChIKeyVHEYZKBANHAWKE-UHFFFAOYSA-N
MW894.55 g/mol
LogP10.68
Rot. Bonds7

About 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine

2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine (PubChem CID 161297796) has the molecular formula C40H44Br3N7O2 and a molecular weight of 894.55 g/mol. Its IUPAC name is 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine
PubChem CID161297796
Molecular FormulaC40H44Br3N7O2
Molecular Weight894.55 g/mol
Exact Mass891.11
IUPAC Name2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine
SMILESCCOC(OCC)C(C)Br.Cc1cccc(-c2ccccc2-c2ccc3ncc(C)n3c2)n1.Cc1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1
InChIInChI=1S/C20H17N3.C8H7BrN2.C7H15BrO2.C5H5BrN2/c1-14-6-5-9-19(22-14)18-8-4-3-7-17(18)16-10-11-20-21-12-15(2)23(20)13-16;1-6-4-10-8-3-2-7(9)5-11(6)8;1-4-9-7(6(3)8)10-5-2;6-4-1-2-5(7)8-3-4/h3-13H,1-2H3;2-5H,1H3;6-7H,4-5H2,1-3H3;1-3H,(H2,7,8)
InChIKeyVHEYZKBANHAWKE-UHFFFAOYSA-N
XLogP10.68
TPSA104.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.55
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-imidazo[1,2-a]pyridin-6-yl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 155568186
2-Bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine
CID 157661477
2-Bromo-1,1-dimethoxyethane;3,5-dibromo-6-(8-fluoroquinolin-6-yl)pyrazin-2-amine;6-(6,8-dibromoimidazo[1,2-a]pyrazin-5-yl)-8-fluoroquinoline
CID 157894896
5-Bromopyridin-3-amine;5-[3-(3-isocyanophenyl)imidazo[1,5-a]pyridin-6-yl]pyridin-3-amine;3-(3-isocyanophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine
CID 158090794
5-bromo-3-(4-fluoro-1H-inden-2-yl)pyridin-2-amine;4-bromo-15-fluoro-6,8,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;1,1-diethoxyethane
CID 158656638
5-Bromopyridin-3-amine;5-[3-(3-isocyanophenyl)imidazo[1,5-a]pyridin-6-yl]pyridin-3-amine;3-(3-isocyanophenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,5-a]pyridine;methane
CID 158794802
4-(Aminomethyl)pyridin-2-amine;6-bromo-7-ethylimidazo[1,2-a]pyridine;5-bromo-4-ethylpyridin-2-amine;4-ethylpyridin-2-amine;4-isocyanopyridin-2-amine;phenylboronic acid;(6-phenylimidazo[1,2-a]pyridin-7-yl)methanamine
CID 158864794
1-Bromo-2,2-dimethoxypropane;6-bromo-2-methyl-8-phenylimidazo[1,2-a]pyrazine;5-bromo-3-phenylpyrazin-2-amine
CID 159081662
6-Bromo-3-(1-phenylethyl)imidazo[1,2-a]pyridine;5-bromopyridin-2-amine
CID 159230894
6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;N'-(5-bromo-2-pyridinyl)-N,N-dimethylmethanimidamide;1,1-dimethoxy-N,N-dimethylmethanamine;propane
CID 159500213
2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-diethylethanamine;2-(7-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 159749263
2-Bromo-1-ethoxy-1-methoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine
CID 159958963

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine (CID 161297796) is 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine is CCOC(OCC)C(C)Br.Cc1cccc(-c2ccccc2-c2ccc3ncc(C)n3c2)n1.Cc1cnc2ccc(Br)cn12.Nc1ccc(Br)cn1.
What is the InChIKey of 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is VHEYZKBANHAWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3.C8H7BrN2.C7H15BrO2.C5H5BrN2/c1-14-6-5-9-19(22-14)18-8-4-3-7-17(18)16-10-11-20-21-12-15(2)23(20)13-16;1-6-4-10-8-3-2-7(9)5-11(6)8;1-4-9-7(6(3)8)10-5-2;6-4-1-2-5(7)8-3-4/h3-13H,1-2H3;2-5H,1H3;6-7H,4-5H2,1-3H3;1-3H,(H2,7,8).
What are the key properties of 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine?
2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 894.55 g/mol, XLogP of 10.68, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,1-diethoxypropane;6-bromo-3-methylimidazo[1,2-a]pyridine;5-bromopyridin-2-amine;3-methyl-6-[2-(6-methyl-2-pyridinyl)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161297796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).