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

C25H16F2N6 — CID 86566542

IUPAC5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C25H16F2N6/c1-14(22-18(26)10-20-17(23(22)27)6-4-8-28-20)33-13-31-24-25(33)32-21(12-30-24)16-9-15-5-2-3-7-19(15)29-11-16/h2-14H,1H3
InChIKeyUUQYAYZHKYVLFJ-UHFFFAOYSA-N
MW438.44 g/mol
LogP5.48
Rot. Bonds3

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

5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566542) has the molecular formula C25H16F2N6 and a molecular weight of 438.44 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566542
Molecular FormulaC25H16F2N6
Molecular Weight438.44 g/mol
Exact Mass438.14
IUPAC Name5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C25H16F2N6/c1-14(22-18(26)10-20-17(23(22)27)6-4-8-28-20)33-13-31-24-25(33)32-21(12-30-24)16-9-15-5-2-3-7-19(15)29-11-16/h2-14H,1H3
InChIKeyUUQYAYZHKYVLFJ-UHFFFAOYSA-N
XLogP5.48
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.44
LogP ≤ 55.48
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-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566542) is 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is UUQYAYZHKYVLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F2N6/c1-14(22-18(26)10-20-17(23(22)27)6-4-8-28-20)33-13-31-24-25(33)32-21(12-30-24)16-9-15-5-2-3-7-19(15)29-11-16/h2-14H,1H3.
What are the key properties of 5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5,7-difluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 438.44 g/mol, XLogP of 5.48, 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-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).