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

C26H18F3N3O3 — CID 142461538

IUPAC[2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H18F3N3O3/c1-15(33)35-26-22(13-19-8-5-9-34-19)31-25-21(11-17-10-18(27)12-20(28)24(17)29)30-23(14-32(25)26)16-6-3-2-4-7-16/h2-10,12,14H,11,13H2,1H3
InChIKeyIRQSYYSBMXWCEU-UHFFFAOYSA-N
MW477.44 g/mol
LogP5.51
Rot. Bonds6

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

[2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 142461538) has the molecular formula C26H18F3N3O3 and a molecular weight of 477.44 g/mol. Its IUPAC name is [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID142461538
Molecular FormulaC26H18F3N3O3
Molecular Weight477.44 g/mol
Exact Mass477.13
IUPAC Name[2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H18F3N3O3/c1-15(33)35-26-22(13-19-8-5-9-34-19)31-25-21(11-17-10-18(27)12-20(28)24(17)29)30-23(14-32(25)26)16-6-3-2-4-7-16/h2-10,12,14H,11,13H2,1H3
InChIKeyIRQSYYSBMXWCEU-UHFFFAOYSA-N
XLogP5.51
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.44
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate (CID 142461538) is [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3F)nc(-c3ccccc3)cn12.
What is the InChIKey of [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is IRQSYYSBMXWCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N3O3/c1-15(33)35-26-22(13-19-8-5-9-34-19)31-25-21(11-17-10-18(27)12-20(28)24(17)29)30-23(14-32(25)26)16-6-3-2-4-7-16/h2-10,12,14H,11,13H2,1H3.
What are the key properties of [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate?
[2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 477.44 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethyl)-6-phenyl-8-[(2,3,5-trifluorophenyl)methyl]imidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 142461538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).