3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

C24H15FN4 — CID 71666371

IUPAC3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C24H15FN4/c25-22-12-20(18-4-1-3-17(10-18)13-26)15-29-21(14-28-24(22)29)11-16-6-7-23-19(9-16)5-2-8-27-23/h1-10,12,14-15H,11H2
InChIKeyLGRDOTLNGPTKJX-UHFFFAOYSA-N
MW378.41 g/mol
LogP5.15
Rot. Bonds3

About 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile

3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (PubChem CID 71666371) has the molecular formula C24H15FN4 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
PubChem CID71666371
Molecular FormulaC24H15FN4
Molecular Weight378.41 g/mol
Exact Mass378.13
IUPAC Name3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile
SMILESN#Cc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1
InChIInChI=1S/C24H15FN4/c25-22-12-20(18-4-1-3-17(10-18)13-26)15-29-21(14-28-24(22)29)11-16-6-7-23-19(9-16)5-2-8-27-23/h1-10,12,14-15H,11H2
InChIKeyLGRDOTLNGPTKJX-UHFFFAOYSA-N
XLogP5.15
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The IUPAC name of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile (CID 71666371) is 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile.
What is the SMILES notation for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The canonical SMILES for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is N#Cc1cccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)c1.
What is the InChIKey of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
The InChIKey is LGRDOTLNGPTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4/c25-22-12-20(18-4-1-3-17(10-18)13-26)15-29-21(14-28-24(22)29)11-16-6-7-23-19(9-16)5-2-8-27-23/h1-10,12,14-15H,11H2.
What are the key properties of 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile?
3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile has a molecular weight of 378.41 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-fluoro-3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyridin-6-yl]benzonitrile is sourced from PubChem (CID 71666371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).