N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide

C32H36N6O5 — CID 70232643

About N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide

N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide (PubChem CID 70232643) has the molecular formula C32H36N6O5 and a molecular weight of 584.68 g/mol. Its IUPAC name is N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

Molecular Properties

• Compound Name: N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
• PubChem CID: 70232643
• Molecular Formula: C32H36N6O5
• Molecular Weight: 584.68 g/mol
• Exact Mass: 584.27
• IUPAC Name: N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide
• SMILES: COCCOCCOCC(=O)NCc1ccc(C)c(-c2cn3cccc(Nc4ccc(-n5cnc(C)c5)c(O)c4)c3n2)c1
• InChI: InChI=1S/C32H36N6O5/c1-22-6-7-24(17-33-31(40)20-43-14-13-42-12-11-41-3)15-26(22)28-19-37-10-4-5-27(32(37)36-28)35-25-8-9-29(30(39)16-25)38-18-23(2)34-21-38/h4-10,15-16,18-19,21,35,39H,11-14,17,20H2,1-3H3,(H,33,40)
• InChIKey: XRFGDZHZRQKPGO-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 124.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.68
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The IUPAC name of N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide (CID 70232643) is N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide.

What is the SMILES notation for N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The canonical SMILES for N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide is COCCOCCOCC(=O)NCc1ccc(C)c(-c2cn3cccc(Nc4ccc(-n5cnc(C)c5)c(O)c4)c3n2)c1.

What is the InChIKey of N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

The InChIKey is XRFGDZHZRQKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N6O5/c1-22-6-7-24(17-33-31(40)20-43-14-13-42-12-11-41-3)15-26(22)28-19-37-10-4-5-27(32(37)36-28)35-25-8-9-29(30(39)16-25)38-18-23(2)34-21-38/h4-10,15-16,18-19,21,35,39H,11-14,17,20H2,1-3H3,(H,33,40).

What are the key properties of N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide?

N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide has a molecular weight of 584.68 g/mol, XLogP of 4.55, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[8-[3-hydroxy-4-(4-methylimidazol-1-yl)anilino]imidazo[1,2-a]pyridin-2-yl]-4-methylphenyl]methyl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide is sourced from PubChem (CID 70232643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).