6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone

C43H51Br2N7O7 — CID 165007660

IUPAC6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone
SMILESCCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(OC)n1
InChIInChI=1S/C22H25N3O4.C14H17BrN2O2.C7H9BrN2O/c1-3-29-20-12-21-23-18(15-7-9-28-10-8-15)14-25(21)13-16(20)11-19(26)17-5-4-6-22(24-17)27-2;1-2-19-13-7-14-16-12(9-17(14)8-11(13)15)10-3-5-18-6-4-10;1-2-11-6-3-7(9)10-4-5(6)8/h4-6,12-15H,3,7-11H2,1-2H3;7-10H,2-6H2,1H3;3-4H,2H2,1H3,(H2,9,10)
InChIKeyJFEXIPZPXCLTRJ-UHFFFAOYSA-N
MW937.73 g/mol
LogP8.67
Rot. Bonds12

About 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone

6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone (PubChem CID 165007660) has the molecular formula C43H51Br2N7O7 and a molecular weight of 937.73 g/mol. Its IUPAC name is 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone
PubChem CID165007660
Molecular FormulaC43H51Br2N7O7
Molecular Weight937.73 g/mol
Exact Mass935.22
IUPAC Name6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone
SMILESCCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(OC)n1
InChIInChI=1S/C22H25N3O4.C14H17BrN2O2.C7H9BrN2O/c1-3-29-20-12-21-23-18(15-7-9-28-10-8-15)14-25(21)13-16(20)11-19(26)17-5-4-6-22(24-17)27-2;1-2-19-13-7-14-16-12(9-17(14)8-11(13)15)10-3-5-18-6-4-10;1-2-11-6-3-7(9)10-4-5(6)8/h4-6,12-15H,3,7-11H2,1-2H3;7-10H,2-6H2,1H3;3-4H,2H2,1H3,(H2,9,10)
InChIKeyJFEXIPZPXCLTRJ-UHFFFAOYSA-N
XLogP8.67
TPSA158.85 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.73
LogP ≤ 58.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone with MolForge

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Related Compounds

1-[1-[3-(Cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155518029
1-[1-[3-(4-Methoxyanilino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155525920
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155512071
1-[1-[3-(Cyclohexylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155514810
1-[1-[3-(2-Methoxyethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155516099
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155524746
1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155530428
Methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(cyclohexylamino)imidazo[1,2-a]pyridine-6-carboxylate
CID 155531454
1-[1-[3-(2-Methoxyethylamino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155545041
1-[1-[3-(2-Morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155563500
1-[1-[3-(4-Methoxyanilino)imidazo[1,2-a]pyrazin-2-yl]-7-propoxyindolizin-3-yl]ethanone
CID 155566278
5-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-4-ethoxy-N-[4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 121456389

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone (CID 165007660) is 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone is CCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1Br.CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1cccc(OC)n1.
What is the InChIKey of 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
The InChIKey is JFEXIPZPXCLTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4.C14H17BrN2O2.C7H9BrN2O/c1-3-29-20-12-21-23-18(15-7-9-28-10-8-15)14-25(21)13-16(20)11-19(26)17-5-4-6-22(24-17)27-2;1-2-19-13-7-14-16-12(9-17(14)8-11(13)15)10-3-5-18-6-4-10;1-2-11-6-3-7(9)10-4-5(6)8/h4-6,12-15H,3,7-11H2,1-2H3;7-10H,2-6H2,1H3;3-4H,2H2,1H3,(H2,9,10).
What are the key properties of 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone?
6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone has a molecular weight of 937.73 g/mol, XLogP of 8.67, 12 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(6-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 165007660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).