6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine

C12H7BrFN3S — CID 79946758

IUPAC6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESFc1ccc(Sc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C12H7BrFN3S/c13-10-7-17-6-5-15-11(17)12(16-10)18-9-3-1-8(14)2-4-9/h1-7H
InChIKeyDTDQQVHLAVNIBG-UHFFFAOYSA-N
MW324.18 g/mol
LogP3.78
Rot. Bonds2

About 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine

6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine (PubChem CID 79946758) has the molecular formula C12H7BrFN3S and a molecular weight of 324.18 g/mol. Its IUPAC name is 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
PubChem CID79946758
Molecular FormulaC12H7BrFN3S
Molecular Weight324.18 g/mol
Exact Mass322.95
IUPAC Name6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine
SMILESFc1ccc(Sc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C12H7BrFN3S/c13-10-7-17-6-5-15-11(17)12(16-10)18-9-3-1-8(14)2-4-9/h1-7H
InChIKeyDTDQQVHLAVNIBG-UHFFFAOYSA-N
XLogP3.78
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine (CID 79946758) is 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine is Fc1ccc(Sc2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine?
The InChIKey is DTDQQVHLAVNIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrFN3S/c13-10-7-17-6-5-15-11(17)12(16-10)18-9-3-1-8(14)2-4-9/h1-7H.
What are the key properties of 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine?
6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine has a molecular weight of 324.18 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4-fluorophenyl)sulfanylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 79946758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).