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

C29H25F2N3O3 — CID 135368224

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

[8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368224) has the molecular formula C29H25F2N3O3 and a molecular weight of 501.53 g/mol. Its IUPAC name is [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 135368224
• Molecular Formula: C29H25F2N3O3
• Molecular Weight: 501.53 g/mol
• Exact Mass: 501.19
• IUPAC Name: [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: CCc1cc(Cc2nc3c(Cc4cccc(F)c4F)nc(-c4ccccc4)cn3c2OC(C)=O)oc1C
• InChI: InChI=1S/C29H25F2N3O3/c1-4-19-13-22(36-17(19)2)15-25-29(37-18(3)35)34-16-26(20-9-6-5-7-10-20)32-24(28(34)33-25)14-21-11-8-12-23(30)27(21)31/h5-13,16H,4,14-15H2,1-3H3
• InChIKey: IBOJHYDJZGJZHU-UHFFFAOYSA-N
• XLogP: 6.25
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.53
LogP ≤ 5	6.25
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-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?

The IUPAC name of [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368224) is [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-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-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?

The canonical SMILES for [8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CCc1cc(Cc2nc3c(Cc4cccc(F)c4F)nc(-c4ccccc4)cn3c2OC(C)=O)oc1C.

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

The InChIKey is IBOJHYDJZGJZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F2N3O3/c1-4-19-13-22(36-17(19)2)15-25-29(37-18(3)35)34-16-26(20-9-6-5-7-10-20)32-24(28(34)33-25)14-21-11-8-12-23(30)27(21)31/h5-13,16H,4,14-15H2,1-3H3.

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

[8-[(2,3-difluorophenyl)methyl]-2-[(4-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 501.53 g/mol, XLogP of 6.25, 7 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-ethyl-5-methylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).