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

C26H19FN6 — CID 155542017

IUPAC7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline
SMILESCCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C26H19FN6/c1-2-24(19-11-17-7-5-9-28-22(17)12-20(19)27)33-15-31-25-26(33)32-23(14-30-25)18-10-16-6-3-4-8-21(16)29-13-18/h3-15,24H,2H2,1H3
InChIKeyXNXUVBORGNMNOM-UHFFFAOYSA-N
MW434.48 g/mol
LogP5.73
Rot. Bonds4

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

7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline (PubChem CID 155542017) has the molecular formula C26H19FN6 and a molecular weight of 434.48 g/mol. Its IUPAC name is 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline.

Molecular Properties

Compound Name7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline
PubChem CID155542017
Molecular FormulaC26H19FN6
Molecular Weight434.48 g/mol
Exact Mass434.17
IUPAC Name7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline
SMILESCCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C26H19FN6/c1-2-24(19-11-17-7-5-9-28-22(17)12-20(19)27)33-15-31-25-26(33)32-23(14-30-25)18-10-16-6-3-4-8-21(16)29-13-18/h3-15,24H,2H2,1H3
InChIKeyXNXUVBORGNMNOM-UHFFFAOYSA-N
XLogP5.73
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 55.73
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)propyl]quinoline?
The IUPAC name of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline (CID 155542017) is 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline.
What is the SMILES notation for 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline?
The canonical SMILES for 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline is CCC(c1cc2cccnc2cc1F)n1cnc2ncc(-c3cnc4ccccc4c3)nc21.
What is the InChIKey of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline?
The InChIKey is XNXUVBORGNMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6/c1-2-24(19-11-17-7-5-9-28-22(17)12-20(19)27)33-15-31-25-26(33)32-23(14-30-25)18-10-16-6-3-4-8-21(16)29-13-18/h3-15,24H,2H2,1H3.
What are the key properties of 7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline?
7-fluoro-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)propyl]quinoline has a molecular weight of 434.48 g/mol, XLogP of 5.73, 4 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)propyl]quinoline is sourced from PubChem (CID 155542017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).