[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

C27H20F3N3O3 — CID 135364458

About [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate

[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135364458) has the molecular formula C27H20F3N3O3 and a molecular weight of 491.47 g/mol. Its IUPAC name is [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

• Compound Name: [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
• PubChem CID: 135364458
• Molecular Formula: C27H20F3N3O3
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.15
• IUPAC Name: [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
• SMILES: CC(=O)Oc1c(Cc2ccc(C(F)(F)F)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12
• InChI: InChI=1S/C27H20F3N3O3/c1-17(34)35-26-22(15-20-12-13-24(36-20)27(28,29)30)32-25-21(14-18-8-4-2-5-9-18)31-23(16-33(25)26)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3
• InChIKey: FLLFGTPJOAMZSI-UHFFFAOYSA-N
• XLogP: 6.11
• 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	491.47
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The IUPAC name of [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (CID 135364458) is [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

What is the SMILES notation for [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The canonical SMILES for [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccc(C(F)(F)F)o2)nc2c(Cc3ccccc3)nc(-c3ccccc3)cn12.

What is the InChIKey of [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

The InChIKey is FLLFGTPJOAMZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3O3/c1-17(34)35-26-22(15-20-12-13-24(36-20)27(28,29)30)32-25-21(14-18-8-4-2-5-9-18)31-23(16-33(25)26)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3.

What are the key properties of [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?

[8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 491.47 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [8-benzyl-6-phenyl-2-[[5-(trifluoromethyl)furan-2-yl]methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135364458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).