6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline

C21H14FN3S — CID 122179433

IUPAC6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
SMILESFc1cc(-c2ccsc2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C21H14FN3S/c22-19-10-17(16-5-7-26-13-16)12-25-18(11-24-21(19)25)9-14-3-4-20-15(8-14)2-1-6-23-20/h1-8,10-13H,9H2
InChIKeyYAKWNNPRZYJPDP-UHFFFAOYSA-N
MW359.43 g/mol
LogP5.34
Rot. Bonds3

About 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline

6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline (PubChem CID 122179433) has the molecular formula C21H14FN3S and a molecular weight of 359.43 g/mol. Its IUPAC name is 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
PubChem CID122179433
Molecular FormulaC21H14FN3S
Molecular Weight359.43 g/mol
Exact Mass359.09
IUPAC Name6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline
SMILESFc1cc(-c2ccsc2)cn2c(Cc3ccc4ncccc4c3)cnc12
InChIInChI=1S/C21H14FN3S/c22-19-10-17(16-5-7-26-13-16)12-25-18(11-24-21(19)25)9-14-3-4-20-15(8-14)2-1-6-23-20/h1-8,10-13H,9H2
InChIKeyYAKWNNPRZYJPDP-UHFFFAOYSA-N
XLogP5.34
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.43
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline?
The IUPAC name of 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline (CID 122179433) is 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline is Fc1cc(-c2ccsc2)cn2c(Cc3ccc4ncccc4c3)cnc12.
What is the InChIKey of 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline?
The InChIKey is YAKWNNPRZYJPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN3S/c22-19-10-17(16-5-7-26-13-16)12-25-18(11-24-21(19)25)9-14-3-4-20-15(8-14)2-1-6-23-20/h1-8,10-13H,9H2.
What are the key properties of 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline?
6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline has a molecular weight of 359.43 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(8-fluoro-6-thiophen-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]quinoline is sourced from PubChem (CID 122179433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).