7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one

C16H9F2N3OS — CID 53036500

IUPAC7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc(-c3cccs3)cn2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H9F2N3OS/c17-11-4-3-10(8-12(11)18)21-6-5-20-9-13(14-2-1-7-23-14)19-15(20)16(21)22/h1-9H
InChIKeyJGZNQNSNMSUNAP-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.49
Rot. Bonds2

About 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one

7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one (PubChem CID 53036500) has the molecular formula C16H9F2N3OS and a molecular weight of 329.33 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
PubChem CID53036500
Molecular FormulaC16H9F2N3OS
Molecular Weight329.33 g/mol
Exact Mass329.04
IUPAC Name7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one
SMILESO=c1c2nc(-c3cccs3)cn2ccn1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H9F2N3OS/c17-11-4-3-10(8-12(11)18)21-6-5-20-9-13(14-2-1-7-23-14)19-15(20)16(21)22/h1-9H
InChIKeyJGZNQNSNMSUNAP-UHFFFAOYSA-N
XLogP3.49
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one (CID 53036500) is 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one is O=c1c2nc(-c3cccs3)cn2ccn1-c1ccc(F)c(F)c1.
What is the InChIKey of 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
The InChIKey is JGZNQNSNMSUNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3OS/c17-11-4-3-10(8-12(11)18)21-6-5-20-9-13(14-2-1-7-23-14)19-15(20)16(21)22/h1-9H.
What are the key properties of 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one?
7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one has a molecular weight of 329.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)-2-thiophen-2-ylimidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53036500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).