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

C27H21F2N3O3 — CID 135367992

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

[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135367992) has the molecular formula C27H21F2N3O3 and a molecular weight of 473.48 g/mol. Its IUPAC name is [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 135367992
• Molecular Formula: C27H21F2N3O3
• Molecular Weight: 473.48 g/mol
• Exact Mass: 473.16
• IUPAC Name: [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: CC(=O)Oc1c(Cc2ccc(C)o2)nc2c(Cc3cc(F)cc(F)c3)nc(-c3ccccc3)cn12
• InChI: InChI=1S/C27H21F2N3O3/c1-16-8-9-22(34-16)14-24-27(35-17(2)33)32-15-25(19-6-4-3-5-7-19)30-23(26(32)31-24)12-18-10-20(28)13-21(29)11-18/h3-11,13,15H,12,14H2,1-2H3
• InChIKey: VJBQJYAQHJEURT-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.48
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135367992) is [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

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

The canonical SMILES for [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccc(C)o2)nc2c(Cc3cc(F)cc(F)c3)nc(-c3ccccc3)cn12.

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

The InChIKey is VJBQJYAQHJEURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F2N3O3/c1-16-8-9-22(34-16)14-24-27(35-17(2)33)32-15-25(19-6-4-3-5-7-19)30-23(26(32)31-24)12-18-10-20(28)13-21(29)11-18/h3-11,13,15H,12,14H2,1-2H3.

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

[8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 473.48 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(3,5-difluorophenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135367992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).