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

C21H15FN6 — CID 86566404

IUPAC8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccncc3)nc21
InChIInChI=1S/C21H15FN6/c1-13(16-9-15-3-2-6-24-19(15)17(22)10-16)28-12-26-20-21(28)27-18(11-25-20)14-4-7-23-8-5-14/h2-13H,1H3
InChIKeyKUCORTCSFFEDPM-UHFFFAOYSA-N
MW370.39 g/mol
LogP4.18
Rot. Bonds3

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

8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566404) has the molecular formula C21H15FN6 and a molecular weight of 370.39 g/mol. Its IUPAC name is 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566404
Molecular FormulaC21H15FN6
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccncc3)nc21
InChIInChI=1S/C21H15FN6/c1-13(16-9-15-3-2-6-24-19(15)17(22)10-16)28-12-26-20-21(28)27-18(11-25-20)14-4-7-23-8-5-14/h2-13H,1H3
InChIKeyKUCORTCSFFEDPM-UHFFFAOYSA-N
XLogP4.18
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.39
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566404) is 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccncc3)nc21.
What is the InChIKey of 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is KUCORTCSFFEDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN6/c1-13(16-9-15-3-2-6-24-19(15)17(22)10-16)28-12-26-20-21(28)27-18(11-25-20)14-4-7-23-8-5-14/h2-13H,1H3.
What are the key properties of 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 370.39 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[1-(5-pyridin-4-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).