[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate

C33H35N3O6 — CID 137379350

About [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate

[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate (PubChem CID 137379350) has the molecular formula C33H35N3O6 and a molecular weight of 569.66 g/mol. Its IUPAC name is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate
• PubChem CID: 137379350
• Molecular Formula: C33H35N3O6
• Molecular Weight: 569.66 g/mol
• Exact Mass: 569.25
• IUPAC Name: [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate
• SMILES: COCCOCC(C)(C)C(=O)OCOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
• InChI: InChI=1S/C33H35N3O6/c1-33(2,22-39-18-17-38-3)32(37)42-23-41-31-28(20-26-15-10-16-40-26)35-30-27(19-24-11-6-4-7-12-24)34-29(21-36(30)31)25-13-8-5-9-14-25/h4-16,21H,17-20,22-23H2,1-3H3
• InChIKey: HGPOJBYHYFQCJP-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 97.32 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.66
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate?

The IUPAC name of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate (CID 137379350) is [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate.

What is the SMILES notation for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate?

The canonical SMILES for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate is COCCOCC(C)(C)C(=O)OCOc1c(Cc2ccco2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.

What is the InChIKey of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate?

The InChIKey is HGPOJBYHYFQCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3O6/c1-33(2,22-39-18-17-38-3)32(37)42-23-41-31-28(20-26-15-10-16-40-26)35-30-27(19-24-11-6-4-7-12-24)34-29(21-36(30)31)25-13-8-5-9-14-25/h4-16,21H,17-20,22-23H2,1-3H3.

What are the key properties of [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate?

[8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate has a molecular weight of 569.66 g/mol, XLogP of 5.74, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-benzyl-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl]oxymethyl 3-(2-methoxyethoxy)-2,2-dimethylpropanoate is sourced from PubChem (CID 137379350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).