1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

C20H14FN3O2 — CID 162656157

IUPAC1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C20H14FN3O2/c1-12(25)14-4-7-17(21)16(8-14)18-11-24-19(9-23-20(24)10-22-18)13-2-5-15(26)6-3-13/h2-11,26H,1H3
InChIKeySDDJAAOLCOTGDD-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.11
Rot. Bonds3

About 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone

1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (PubChem CID 162656157) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
PubChem CID162656157
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1
InChIInChI=1S/C20H14FN3O2/c1-12(25)14-4-7-17(21)16(8-14)18-11-24-19(9-23-20(24)10-22-18)13-2-5-15(26)6-3-13/h2-11,26H,1H3
InChIKeySDDJAAOLCOTGDD-UHFFFAOYSA-N
XLogP4.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone (CID 162656157) is 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is CC(=O)c1ccc(F)c(-c2cn3c(-c4ccc(O)cc4)cnc3cn2)c1.
What is the InChIKey of 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
The InChIKey is SDDJAAOLCOTGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-12(25)14-4-7-17(21)16(8-14)18-11-24-19(9-23-20(24)10-22-18)13-2-5-15(26)6-3-13/h2-11,26H,1H3.
What are the key properties of 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone?
1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone has a molecular weight of 347.35 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone is sourced from PubChem (CID 162656157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).