[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate

C28H23F2N3O3 — CID 146503597

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

[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 146503597) has the molecular formula C28H23F2N3O3 and a molecular weight of 487.51 g/mol. Its IUPAC name is [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 146503597
• Molecular Formula: C28H23F2N3O3
• Molecular Weight: 487.51 g/mol
• Exact Mass: 487.17
• IUPAC Name: [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: CC(=O)Oc1c(Cc2cc(C)c(C)o2)nc2c(Cc3cccc(F)c3F)nc(-c3ccccc3)cn12
• InChI: InChI=1S/C28H23F2N3O3/c1-16-12-21(35-17(16)2)14-24-28(36-18(3)34)33-15-25(19-8-5-4-6-9-19)31-23(27(33)32-24)13-20-10-7-11-22(29)26(20)30/h4-12,15H,13-14H2,1-3H3
• InChIKey: IXAAQHKIAQSTMH-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.51
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 146503597) is [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

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

The canonical SMILES for [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2cc(C)c(C)o2)nc2c(Cc3cccc(F)c3F)nc(-c3ccccc3)cn12.

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

The InChIKey is IXAAQHKIAQSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N3O3/c1-16-12-21(35-17(16)2)14-24-28(36-18(3)34)33-15-25(19-8-5-4-6-9-19)31-23(27(33)32-24)13-20-10-7-11-22(29)26(20)30/h4-12,15H,13-14H2,1-3H3.

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

[8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 487.51 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(2,3-difluorophenyl)methyl]-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 146503597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).