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

C25H17FN6 — CID 141370344

IUPAC7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C25H17FN6/c1-15(19-10-17-6-4-8-27-22(17)11-20(19)26)32-14-30-24-25(32)31-23(13-29-24)18-9-16-5-2-3-7-21(16)28-12-18/h2-15H,1H3
InChIKeyOOFBFLMNYYNTSA-UHFFFAOYSA-N
MW420.45 g/mol
LogP5.34
Rot. Bonds3

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

7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 141370344) has the molecular formula C25H17FN6 and a molecular weight of 420.45 g/mol. Its IUPAC name is 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID141370344
Molecular FormulaC25H17FN6
Molecular Weight420.45 g/mol
Exact Mass420.15
IUPAC Name7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C25H17FN6/c1-15(19-10-17-6-4-8-27-22(17)11-20(19)26)32-14-30-24-25(32)31-23(13-29-24)18-9-16-5-2-3-7-21(16)28-12-18/h2-15H,1H3
InChIKeyOOFBFLMNYYNTSA-UHFFFAOYSA-N
XLogP5.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.45
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 141370344) is 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21.
What is the InChIKey of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is OOFBFLMNYYNTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN6/c1-15(19-10-17-6-4-8-27-22(17)11-20(19)26)32-14-30-24-25(32)31-23(13-29-24)18-9-16-5-2-3-7-21(16)28-12-18/h2-15H,1H3.
What are the key properties of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 420.45 g/mol, XLogP of 5.34, 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-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 141370344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).