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

C26H19F2N3O3 — CID 142461579

IUPAC[8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-21-8-5-9-33-21)30-25-22(12-17-10-19(27)13-20(28)11-17)29-24(15-31(25)26)18-6-3-2-4-7-18/h2-11,13,15H,12,14H2,1H3
InChIKeyJNTMPIHYIQWBGV-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.37
Rot. Bonds6

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

[8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 142461579) has the molecular formula C26H19F2N3O3 and a molecular weight of 459.45 g/mol. Its IUPAC name is [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID142461579
Molecular FormulaC26H19F2N3O3
Molecular Weight459.45 g/mol
Exact Mass459.14
IUPAC Name[8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-21-8-5-9-33-21)30-25-22(12-17-10-19(27)13-20(28)11-17)29-24(15-31(25)26)18-6-3-2-4-7-18/h2-11,13,15H,12,14H2,1H3
InChIKeyJNTMPIHYIQWBGV-UHFFFAOYSA-N
XLogP5.37
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 142461579) is [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)cc(F)c3)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is JNTMPIHYIQWBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-21-8-5-9-33-21)30-25-22(12-17-10-19(27)13-20(28)11-17)29-24(15-31(25)26)18-6-3-2-4-7-18/h2-11,13,15H,12,14H2,1H3.
What are the key properties of [8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
[8-[(3,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate has a molecular weight of 459.45 g/mol, XLogP of 5.37, 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-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 142461579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).