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

C26H17F2N5 — CID 86566598

IUPAC5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C26H17F2N5/c1-15(23-20(27)12-21-19(24(23)28)10-5-11-29-21)33-14-31-25-26(33)32-22(13-30-25)18-9-4-7-16-6-2-3-8-17(16)18/h2-15H,1H3
InChIKeyPKIMMBCWUXBFNC-UHFFFAOYSA-N
MW437.45 g/mol
LogP6.08
Rot. Bonds3

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

5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566598) has the molecular formula C26H17F2N5 and a molecular weight of 437.45 g/mol. Its IUPAC name is 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566598
Molecular FormulaC26H17F2N5
Molecular Weight437.45 g/mol
Exact Mass437.15
IUPAC Name5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cccc4ccccc34)nc21
InChIInChI=1S/C26H17F2N5/c1-15(23-20(27)12-21-19(24(23)28)10-5-11-29-21)33-14-31-25-26(33)32-22(13-30-25)18-9-4-7-16-6-2-3-8-17(16)18/h2-15H,1H3
InChIKeyPKIMMBCWUXBFNC-UHFFFAOYSA-N
XLogP6.08
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566598) is 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is CC(c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3cccc4ccccc34)nc21.
What is the InChIKey of 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is PKIMMBCWUXBFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N5/c1-15(23-20(27)12-21-19(24(23)28)10-5-11-29-21)33-14-31-25-26(33)32-22(13-30-25)18-9-4-7-16-6-2-3-8-17(16)18/h2-15H,1H3.
What are the key properties of 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 437.45 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-6-[1-(5-naphthalen-1-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).