[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

C28H25N3O4 — CID 135364755

About [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135364755) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 135364755
• Molecular Formula: C28H25N3O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.18
• IUPAC Name: [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: COc1ccc(-c2cn3c(OC(C)=O)c(Cc4ccc(C)o4)nc3c(Cc3ccccc3)n2)cc1
• InChI: InChI=1S/C28H25N3O4/c1-18-9-12-23(34-18)16-25-28(35-19(2)32)31-17-26(21-10-13-22(33-3)14-11-21)29-24(27(31)30-25)15-20-7-5-4-6-8-20/h4-14,17H,15-16H2,1-3H3
• InChIKey: XUQSYTIVYALFJA-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 78.86 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The IUPAC name of [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135364755) is [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

What is the SMILES notation for [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The canonical SMILES for [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is COc1ccc(-c2cn3c(OC(C)=O)c(Cc4ccc(C)o4)nc3c(Cc3ccccc3)n2)cc1.

What is the InChIKey of [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The InChIKey is XUQSYTIVYALFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-18-9-12-23(34-18)16-25-28(35-19(2)32)31-17-26(21-10-13-22(33-3)14-11-21)29-24(27(31)30-25)15-20-7-5-4-6-8-20/h4-14,17H,15-16H2,1-3H3.

What are the key properties of [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

[8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 467.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [8-benzyl-6-(4-methoxyphenyl)-2-[(5-methylfuran-2-yl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135364755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).