ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate

C17H15FN2O2S — CID 155935932

IUPACethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H15FN2O2S/c1-2-22-17(21)15(18)23-16-14(12-8-4-3-5-9-12)19-13-10-6-7-11-20(13)16/h3-11,15H,2H2,1H3
InChIKeyWMNVSQQCNHHGGF-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.95
Rot. Bonds5

About ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate

ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate (PubChem CID 155935932) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
PubChem CID155935932
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Nameethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
SMILESCCOC(=O)C(F)Sc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H15FN2O2S/c1-2-22-17(21)15(18)23-16-14(12-8-4-3-5-9-12)19-13-10-6-7-11-20(13)16/h3-11,15H,2H2,1H3
InChIKeyWMNVSQQCNHHGGF-UHFFFAOYSA-N
XLogP3.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The IUPAC name of ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate (CID 155935932) is ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate is CCOC(=O)C(F)Sc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The InChIKey is WMNVSQQCNHHGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2S/c1-2-22-17(21)15(18)23-16-14(12-8-4-3-5-9-12)19-13-10-6-7-11-20(13)16/h3-11,15H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate has a molecular weight of 330.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate is sourced from PubChem (CID 155935932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).