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

C26H18FN5 — CID 86566427

IUPAC8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C26H18FN5/c1-16(19-12-18-8-5-11-28-24(18)22(27)13-19)32-15-30-25-26(32)31-23(14-29-25)21-10-4-7-17-6-2-3-9-20(17)21/h2-16H,1H3
InChIKeyWGVAYOBTLYZQFK-UHFFFAOYSA-N
MW419.46 g/mol
LogP5.94
Rot. Bonds3

About 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566427) has the molecular formula C26H18FN5 and a molecular weight of 419.46 g/mol. Its IUPAC name is 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566427
Molecular FormulaC26H18FN5
Molecular Weight419.46 g/mol
Exact Mass419.15
IUPAC Name8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C26H18FN5/c1-16(19-12-18-8-5-11-28-24(18)22(27)13-19)32-15-30-25-26(32)31-23(14-29-25)21-10-4-7-17-6-2-3-9-20(17)21/h2-16H,1H3
InChIKeyWGVAYOBTLYZQFK-UHFFFAOYSA-N
XLogP5.94
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566427) is 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3cccc4ccccc34)nc21.
What is the InChIKey of 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is WGVAYOBTLYZQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5/c1-16(19-12-18-8-5-11-28-24(18)22(27)13-19)32-15-30-25-26(32)31-23(14-29-25)21-10-4-7-17-6-2-3-9-20(17)21/h2-16H,1H3.
What are the key properties of 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 419.46 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).