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

C17H15FN2O2S — CID 155935522

IUPACethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
SMILESCCOC(=O)[C@@H](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/t15-/m0/s1
InChIKeyWMNVSQQCNHHGGF-HNNXBMFYSA-N
MW330.38 g/mol
LogP3.95
Rot. Bonds5

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

ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate (PubChem CID 155935522) has the molecular formula C17H15FN2O2S and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
PubChem CID155935522
Molecular FormulaC17H15FN2O2S
Molecular Weight330.38 g/mol
Exact Mass330.08
IUPAC Nameethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate
SMILESCCOC(=O)[C@@H](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/t15-/m0/s1
InChIKeyWMNVSQQCNHHGGF-HNNXBMFYSA-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

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Related Compounds

ethyl 2-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetate
CID 79357243
ethyl 2-(4-fluoroanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138983171
ethyl 2-(3-methylanilino)-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 138982849
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
ethyl 3-phenyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-5-carboxylate
CID 10591570
[4-(3-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanol
CID 70813399
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 2-phenylimidazo[1,2-b]pyridazine-3-carboxylate
CID 14743338
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
2-phenyl-3-pyridin-2-ylsulfanylimidazo[1,2-a]pyridine
CID 122210716

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The IUPAC name of ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate (CID 155935522) is ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate.
What is the SMILES notation for ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The canonical SMILES for ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate is CCOC(=O)[C@@H](F)Sc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
The InChIKey is WMNVSQQCNHHGGF-HNNXBMFYSA-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/t15-/m0/s1.
What are the key properties of ethyl (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate?
ethyl (2S)-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 (2S)-2-fluoro-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)sulfanylacetate is sourced from PubChem (CID 155935522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).