5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

C20H13F2N5S — CID 86566629

IUPAC5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccsc3)nc21
InChIInChI=1S/C20H13F2N5S/c1-11(17-14(21)7-15-13(18(17)22)3-2-5-23-15)27-10-25-19-20(27)26-16(8-24-19)12-4-6-28-9-12/h2-11H,1H3
InChIKeyIRNHBLZYJVQJJP-UHFFFAOYSA-N
MW393.42 g/mol
LogP4.99
Rot. Bonds3

About 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566629) has the molecular formula C20H13F2N5S and a molecular weight of 393.42 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566629
Molecular FormulaC20H13F2N5S
Molecular Weight393.42 g/mol
Exact Mass393.09
IUPAC Name5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccsc3)nc21
InChIInChI=1S/C20H13F2N5S/c1-11(17-14(21)7-15-13(18(17)22)3-2-5-23-15)27-10-25-19-20(27)26-16(8-24-19)12-4-6-28-9-12/h2-11H,1H3
InChIKeyIRNHBLZYJVQJJP-UHFFFAOYSA-N
XLogP4.99
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566629) is 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccsc3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is IRNHBLZYJVQJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N5S/c1-11(17-14(21)7-15-13(18(17)22)3-2-5-23-15)27-10-25-19-20(27)26-16(8-24-19)12-4-6-28-9-12/h2-11H,1H3.
What are the key properties of 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 393.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).