3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone

C94H71N17O6 — CID 160826806

IUPAC3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.COC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.Cc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1.c1cc(-c2ccc3ncc(-c4ccc5c(c4)CCO5)n3c2)ccn1.c1cc2ncc(-c3ccc4c(c3)OCO4)n2cc1-c1cn[nH]c1
InChIInChI=1S/C20H15N3O2.2C20H15N3O.C17H12N4O2.C17H14N4/c1-25-20(24)16-4-2-15(3-5-16)18-12-22-19-7-6-17(13-23(18)19)14-8-10-21-11-9-14;1-3-19-16(7-10-24-19)11-15(1)18-12-22-20-4-2-17(13-23(18)20)14-5-8-21-9-6-14;1-14(24)15-2-4-17(5-3-15)19-12-22-20-7-6-18(13-23(19)20)16-8-10-21-11-9-16;1-3-15-16(23-10-22-15)5-11(1)14-8-18-17-4-2-12(9-21(14)17)13-6-19-20-7-13;1-12-2-4-13(5-3-12)16-10-18-17-7-6-14(11-21(16)17)15-8-19-20-9-15/h2-13H,1H3;1-6,8-9,11-13H,7,10H2;2-13H,1H3;1-9H,10H2,(H,19,20);2-11H,1H3,(H,19,20)
InChIKeySGGZBLHMCQAXBT-UHFFFAOYSA-N
MW1534.71 g/mol
LogP18.93
Rot. Bonds12

About 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone

3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone (PubChem CID 160826806) has the molecular formula C94H71N17O6 and a molecular weight of 1534.71 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone
PubChem CID160826806
Molecular FormulaC94H71N17O6
Molecular Weight1534.71 g/mol
Exact Mass1533.58
IUPAC Name3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.COC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.Cc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1.c1cc(-c2ccc3ncc(-c4ccc5c(c4)CCO5)n3c2)ccn1.c1cc2ncc(-c3ccc4c(c3)OCO4)n2cc1-c1cn[nH]c1
InChIInChI=1S/C20H15N3O2.2C20H15N3O.C17H12N4O2.C17H14N4/c1-25-20(24)16-4-2-15(3-5-16)18-12-22-19-7-6-17(13-23(18)19)14-8-10-21-11-9-14;1-3-19-16(7-10-24-19)11-15(1)18-12-22-20-4-2-17(13-23(18)20)14-5-8-21-9-6-14;1-14(24)15-2-4-17(5-3-15)19-12-22-20-7-6-18(13-23(19)20)16-8-10-21-11-9-16;1-3-15-16(23-10-22-15)5-11(1)14-8-18-17-4-2-12(9-21(14)17)13-6-19-20-7-13;1-12-2-4-13(5-3-12)16-10-18-17-7-6-14(11-21(16)17)15-8-19-20-9-15/h2-13H,1H3;1-6,8-9,11-13H,7,10H2;2-13H,1H3;1-9H,10H2,(H,19,20);2-11H,1H3,(H,19,20)
InChIKeySGGZBLHMCQAXBT-UHFFFAOYSA-N
XLogP18.93
TPSA253.59 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001534.71
LogP ≤ 518.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone (CID 160826806) is 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone is CC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.COC(=O)c1ccc(-c2cnc3ccc(-c4ccncc4)cn23)cc1.Cc1ccc(-c2cnc3ccc(-c4cn[nH]c4)cn23)cc1.c1cc(-c2ccc3ncc(-c4ccc5c(c4)CCO5)n3c2)ccn1.c1cc2ncc(-c3ccc4c(c3)OCO4)n2cc1-c1cn[nH]c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone?
The InChIKey is SGGZBLHMCQAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.2C20H15N3O.C17H12N4O2.C17H14N4/c1-25-20(24)16-4-2-15(3-5-16)18-12-22-19-7-6-17(13-23(18)19)14-8-10-21-11-9-14;1-3-19-16(7-10-24-19)11-15(1)18-12-22-20-4-2-17(13-23(18)20)14-5-8-21-9-6-14;1-14(24)15-2-4-17(5-3-15)19-12-22-20-7-6-18(13-23(19)20)16-8-10-21-11-9-16;1-3-15-16(23-10-22-15)5-11(1)14-8-18-17-4-2-12(9-21(14)17)13-6-19-20-7-13;1-12-2-4-13(5-3-12)16-10-18-17-7-6-14(11-21(16)17)15-8-19-20-9-15/h2-13H,1H3;1-6,8-9,11-13H,7,10H2;2-13H,1H3;1-9H,10H2,(H,19,20);2-11H,1H3,(H,19,20).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone?
3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone has a molecular weight of 1534.71 g/mol, XLogP of 18.93, 12 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;3-(2,3-dihydro-1-benzofuran-5-yl)-6-pyridin-4-ylimidazo[1,2-a]pyridine;3-(4-methylphenyl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine;methyl 4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)benzoate;1-[4-(6-pyridin-4-ylimidazo[1,2-a]pyridin-3-yl)phenyl]ethanone is sourced from PubChem (CID 160826806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).