Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine

C₁₁₇H₁₁₀N₁₈O₃S₂ — CID 159539538

About Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine

Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine (PubChem CID 159539538) has the molecular formula C₁₁₇H₁₁₀N₁₈O₃S₂ and a molecular weight of 1880.42 g/mol. Its IUPAC name is bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine
• PubChem CID: 159539538
• Molecular Formula: C₁₁₇H₁₁₀N₁₈O₃S₂
• Molecular Weight: 1880.42 g/mol
• Exact Mass: 1878.84
• IUPAC Name: bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine
• SMILES: CC(C)Oc1ccc(-c2ccn3c(-c4ccsc4)cnc3c2)cc1.CC(C)Oc1ccc(-c2ccn3c(-c4cncs4)cnc3c2)cc1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cnccc1-c1cnc2cc(-c3ccc(OC(C)C)cc3)ccn12
• InChI: InChI=1S/2C28H27N5.C22H21N3O.C20H18N2OS.C19H17N3OS/c2*1-20-17-25(24-5-3-4-6-26(24)30-20)27-19-29-28-18-22(11-12-33(27)28)21-7-9-23(10-8-21)32-15-13-31(2)14-16-32;1-15(2)26-19-6-4-17(5-7-19)18-9-11-25-21(14-24-22(25)12-18)20-8-10-23-13-16(20)3;1-14(2)23-18-5-3-15(4-6-18)16-7-9-22-19(12-21-20(22)11-16)17-8-10-24-13-17;1-13(2)23-16-5-3-14(4-6-16)15-7-8-22-17(10-21-19(22)9-15)18-11-20-12-24-18/h2*3-12,17-19H,13-16H2,1-2H3;4-15H,1-3H3;3-14H,1-2H3;3-13H,1-2H3
• InChIKey: MEAHUGQJAWXFAN-UHFFFAOYSA-N
• XLogP: 26.14
• TPSA: 178.71 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1880.42
LogP ≤ 5	26.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine?

The IUPAC name of Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine (CID 159539538) is bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine.

What is the SMILES notation for Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine?

The canonical SMILES for Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine is CC(C)Oc1ccc(-c2ccn3c(-c4ccsc4)cnc3c2)cc1.CC(C)Oc1ccc(-c2ccn3c(-c4cncs4)cnc3c2)cc1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2ccccc2n1.Cc1cnccc1-c1cnc2cc(-c3ccc(OC(C)C)cc3)ccn12.

What is the InChIKey of Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine?

The InChIKey is MEAHUGQJAWXFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H27N5.C22H21N3O.C20H18N2OS.C19H17N3OS/c2*1-20-17-25(24-5-3-4-6-26(24)30-20)27-19-29-28-18-22(11-12-33(27)28)21-7-9-23(10-8-21)32-15-13-31(2)14-16-32;1-15(2)26-19-6-4-17(5-7-19)18-9-11-25-21(14-24-22(25)12-18)20-8-10-23-13-16(20)3;1-14(2)23-18-5-3-15(4-6-18)16-7-9-22-19(12-21-20(22)11-16)17-8-10-24-13-17;1-13(2)23-16-5-3-14(4-6-16)15-7-8-22-17(10-21-19(22)9-15)18-11-20-12-24-18/h2*3-12,17-19H,13-16H2,1-2H3;4-15H,1-3H3;3-14H,1-2H3;3-13H,1-2H3.

What are the key properties of Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine?

Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine has a molecular weight of 1880.42 g/mol, XLogP of 26.14, 18 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for Bis(2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline);3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 159539538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159539538 — identifiers, structure, computed properties (public domain)

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