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

C26H19F2N3O3 — CID 135368098

IUPAC[8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)ccc3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-20-8-5-11-33-20)30-25-22(13-18-12-19(27)9-10-21(18)28)29-24(15-31(25)26)17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3
InChIKeyCSAFELWKQDQEOK-UHFFFAOYSA-N
MW459.45 g/mol
LogP5.37
Rot. Bonds6

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

[8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (PubChem CID 135368098) has the molecular formula C26H19F2N3O3 and a molecular weight of 459.45 g/mol. Its IUPAC name is [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.

Molecular Properties

Compound Name[8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
PubChem CID135368098
Molecular FormulaC26H19F2N3O3
Molecular Weight459.45 g/mol
Exact Mass459.14
IUPAC Name[8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate
SMILESCC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)ccc3F)nc(-c3ccccc3)cn12
InChIInChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-20-8-5-11-33-20)30-25-22(13-18-12-19(27)9-10-21(18)28)29-24(15-31(25)26)17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3
InChIKeyCSAFELWKQDQEOK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The IUPAC name of [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate (CID 135368098) is [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate.
What is the SMILES notation for [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The canonical SMILES for [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is CC(=O)Oc1c(Cc2ccco2)nc2c(Cc3cc(F)ccc3F)nc(-c3ccccc3)cn12.
What is the InChIKey of [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
The InChIKey is CSAFELWKQDQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O3/c1-16(32)34-26-23(14-20-8-5-11-33-20)30-25-22(13-18-12-19(27)9-10-21(18)28)29-24(15-31(25)26)17-6-3-2-4-7-17/h2-12,15H,13-14H2,1H3.
What are the key properties of [8-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate?
[8-[(2,5-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-[(2,5-difluorophenyl)methyl]-2-(furan-2-ylmethyl)-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate is sourced from PubChem (CID 135368098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).