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

C29H27N3O3 — CID 135368245

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

[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368245) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 135368245
• Molecular Formula: C29H27N3O3
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.21
• IUPAC Name: [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: CCc1cc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2OC(C)=O)oc1C
• InChI: InChI=1S/C29H27N3O3/c1-4-22-16-24(34-19(22)2)17-26-29(35-20(3)33)32-18-27(23-13-9-6-10-14-23)30-25(28(32)31-26)15-21-11-7-5-8-12-21/h5-14,16,18H,4,15,17H2,1-3H3
• InChIKey: NGCRWOYJIWGQPA-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368245) is [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

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

The canonical SMILES for [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CCc1cc(Cc2nc3c(Cc4ccccc4)nc(-c4ccccc4)cn3c2OC(C)=O)oc1C.

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

The InChIKey is NGCRWOYJIWGQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-4-22-16-24(34-19(22)2)17-26-29(35-20(3)33)32-18-27(23-13-9-6-10-14-23)30-25(28(32)31-26)15-21-11-7-5-8-12-21/h5-14,16,18H,4,15,17H2,1-3H3.

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

[8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 465.55 g/mol, XLogP of 5.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-benzyl-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).