(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde

C₉₂H₁₁₀N₂₂O₄ — CID 160669821

About (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde

(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde (PubChem CID 160669821) has the molecular formula C₉₂H₁₁₀N₂₂O₄ and a molecular weight of 1588.04 g/mol. Its IUPAC name is (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde.

Molecular Properties

• Compound Name: (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde
• PubChem CID: 160669821
• Molecular Formula: C₉₂H₁₁₀N₂₂O₄
• Molecular Weight: 1588.04 g/mol
• Exact Mass: 1586.91
• IUPAC Name: (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde
• SMILES: CC(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1/C=C/C(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1C1CCCC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1C=O
• InChI: InChI=1S/C23H28N6O.C23H30N6.C23H25N5O.C16H20N4O.C7H7NO/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28;1-17-6-5-11-24-23(17)19-8-3-7-18(25-19)20-16-29-21(26-20)9-4-10-22(29)28-14-12-27(2)13-15-28;1-18-5-4-12-24-21(18)11-10-20(29)9-8-19-17-28-22(25-19)6-3-7-23(28)27-15-13-26(2)14-16-27;1-13(21)6-7-14-12-20-15(17-14)4-3-5-16(20)19-10-8-18(2)9-11-19;1-6-3-2-4-8-7(6)5-9/h3-8,15,18-19,25H,9-14H2,1-2H3;4-6,9-11,16,18-19,25H,3,7-8,12-15H2,1-2H3;3-12,17H,13-16H2,1-2H3;3-7,12H,8-11H2,1-2H3;2-5H,1H3/b;;9-8+,11-10+;7-6+
• InChIKey: RMTYPKWUOPNGQC-IVRDNDISSA-N
• XLogP: 11.85
• TPSA: 239.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1588.04
LogP ≤ 5	11.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde?

The IUPAC name of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde (CID 160669821) is (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde.

What is the SMILES notation for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde?

The canonical SMILES for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde is CC(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1/C=C/C(=O)/C=C/c1cn2c(N3CCN(C)CC3)cccc2n1.Cc1cccnc1C1CC(=O)CC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1C1CCCC(c2cn3c(N4CCN(C)CC4)cccc3n2)N1.Cc1cccnc1C=O.

What is the InChIKey of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde?

The InChIKey is RMTYPKWUOPNGQC-IVRDNDISSA-N. The full InChI is InChI=1S/C23H28N6O.C23H30N6.C23H25N5O.C16H20N4O.C7H7NO/c1-16-5-4-8-24-23(16)19-14-17(30)13-18(25-19)20-15-29-21(26-20)6-3-7-22(29)28-11-9-27(2)10-12-28;1-17-6-5-11-24-23(17)19-8-3-7-18(25-19)20-16-29-21(26-20)9-4-10-22(29)28-14-12-27(2)13-15-28;1-18-5-4-12-24-21(18)11-10-20(29)9-8-19-17-28-22(25-19)6-3-7-23(28)27-15-13-26(2)14-16-27;1-13(21)6-7-14-12-20-15(17-14)4-3-5-16(20)19-10-8-18(2)9-11-19;1-6-3-2-4-8-7(6)5-9/h3-8,15,18-19,25H,9-14H2,1-2H3;4-6,9-11,16,18-19,25H,3,7-8,12-15H2,1-2H3;3-12,17H,13-16H2,1-2H3;3-7,12H,8-11H2,1-2H3;2-5H,1H3/b;;9-8+,11-10+;7-6+;.

What are the key properties of (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde?

(E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde has a molecular weight of 1588.04 g/mol, XLogP of 11.85, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]but-3-en-2-one;(1E,4E)-1-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-5-(3-methyl-2-pyridinyl)penta-1,4-dien-3-one;2-[5-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]-6-(3-methyl-2-pyridinyl)piperidin-4-one;5-(4-methylpiperazin-1-yl)-2-[6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine;3-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 160669821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160669821 — identifiers, structure, computed properties (public domain)

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