3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine

C16H9ClFN3S — CID 155545000

IUPAC3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cnc3cnc(-c4cccs4)cn23)cc1Cl
InChIInChI=1S/C16H9ClFN3S/c17-11-6-10(3-4-12(11)18)14-7-20-16-8-19-13(9-21(14)16)15-2-1-5-22-15/h1-9H
InChIKeyVXYDHTVWRGSCLH-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.92
Rot. Bonds2

About 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine

3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (PubChem CID 155545000) has the molecular formula C16H9ClFN3S and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
PubChem CID155545000
Molecular FormulaC16H9ClFN3S
Molecular Weight329.79 g/mol
Exact Mass329.02
IUPAC Name3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine
SMILESFc1ccc(-c2cnc3cnc(-c4cccs4)cn23)cc1Cl
InChIInChI=1S/C16H9ClFN3S/c17-11-6-10(3-4-12(11)18)14-7-20-16-8-19-13(9-21(14)16)15-2-1-5-22-15/h1-9H
InChIKeyVXYDHTVWRGSCLH-UHFFFAOYSA-N
XLogP4.92
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine (CID 155545000) is 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is Fc1ccc(-c2cnc3cnc(-c4cccs4)cn23)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
The InChIKey is VXYDHTVWRGSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClFN3S/c17-11-6-10(3-4-12(11)18)14-7-20-16-8-19-13(9-21(14)16)15-2-1-5-22-15/h1-9H.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine?
3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine has a molecular weight of 329.79 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 155545000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).