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

C20H14FN5S — CID 141370294

IUPAC7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccsc3)nc21
InChIInChI=1S/C20H14FN5S/c1-12(15-7-13-3-2-5-22-17(13)8-16(15)21)26-11-24-19-20(26)25-18(9-23-19)14-4-6-27-10-14/h2-12H,1H3
InChIKeyMNQZIXJFBKKXEJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.85
Rot. Bonds3

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

7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 141370294) has the molecular formula C20H14FN5S and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID141370294
Molecular FormulaC20H14FN5S
Molecular Weight375.43 g/mol
Exact Mass375.10
IUPAC Name7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccsc3)nc21
InChIInChI=1S/C20H14FN5S/c1-12(15-7-13-3-2-5-22-17(13)8-16(15)21)26-11-24-19-20(26)25-18(9-23-19)14-4-6-27-10-14/h2-12H,1H3
InChIKeyMNQZIXJFBKKXEJ-UHFFFAOYSA-N
XLogP4.85
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 141370294) is 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccsc3)nc21.
What is the InChIKey of 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is MNQZIXJFBKKXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5S/c1-12(15-7-13-3-2-5-22-17(13)8-16(15)21)26-11-24-19-20(26)25-18(9-23-19)14-4-6-27-10-14/h2-12H,1H3.
What are the key properties of 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 375.43 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[1-(5-thiophen-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 141370294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).