1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone

C19H13FN2OS — CID 162403092

IUPAC1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(F)cn23)s1
InChIInChI=1S/C19H13FN2OS/c1-12(23)15-8-9-16(24-15)19-18(13-5-3-2-4-6-13)21-17-10-7-14(20)11-22(17)19/h2-11H,1H3
InChIKeyWDPDQVOQNUCMEJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP5.07
Rot. Bonds3

About 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone

1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone (PubChem CID 162403092) has the molecular formula C19H13FN2OS and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone
PubChem CID162403092
Molecular FormulaC19H13FN2OS
Molecular Weight336.39 g/mol
Exact Mass336.07
IUPAC Name1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(F)cn23)s1
InChIInChI=1S/C19H13FN2OS/c1-12(23)15-8-9-16(24-15)19-18(13-5-3-2-4-6-13)21-17-10-7-14(20)11-22(17)19/h2-11H,1H3
InChIKeyWDPDQVOQNUCMEJ-UHFFFAOYSA-N
XLogP5.07
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone (CID 162403092) is 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2c(-c3ccccc3)nc3ccc(F)cn23)s1.
What is the InChIKey of 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone?
The InChIKey is WDPDQVOQNUCMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2OS/c1-12(23)15-8-9-16(24-15)19-18(13-5-3-2-4-6-13)21-17-10-7-14(20)11-22(17)19/h2-11H,1H3.
What are the key properties of 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone?
1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone has a molecular weight of 336.39 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6-fluoro-2-phenylimidazo[1,2-a]pyridin-3-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 162403092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).