propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate

C17H16FN3O2S — CID 3214227

IUPACpropan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-11(2)23-15(22)10-24-17-20-14-4-3-9-19-16(14)21(17)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3
InChIKeyLAYSPIWBHGUEEU-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.60
Rot. Bonds5

About propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate

propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate (PubChem CID 3214227) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
PubChem CID3214227
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Namepropan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate
SMILESCC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
InChIInChI=1S/C17H16FN3O2S/c1-11(2)23-15(22)10-24-17-20-14-4-3-9-19-16(14)21(17)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3
InChIKeyLAYSPIWBHGUEEU-UHFFFAOYSA-N
XLogP3.60
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 3214182
{[(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl)methyl]thio}acetic acid
CID 20955361
2-[3-(2-Methoxy-ethyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-1-piperidin-1-yl-ethanone
CID 647725
2-[(2-Fluorophenyl)methylsulfanyl]-3-methylimidazo[4,5-b]pyridine
CID 649231
Ethyl 2-[[2-(3-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetyl]amino]acetate
CID 653391
(3-Cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetic acid isopropyl ester
CID 656322
isopropyl {[4-phenyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetate
CID 1248797
isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate
CID 1867624
[2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 3214225
N-tert-Butyl-2-(3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 24747039
ethyl 2-{[3-methyl-6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-yl]thio}acetate
CID 2745077
2-[3-(4-Fluoro-phenyl)-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl]-N-methyl-acetamide
CID 24746959

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate?
The IUPAC name of propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate (CID 3214227) is propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate.
What is the SMILES notation for propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate?
The canonical SMILES for propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate is CC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1.
What is the InChIKey of propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate?
The InChIKey is LAYSPIWBHGUEEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11(2)23-15(22)10-24-17-20-14-4-3-9-19-16(14)21(17)13-7-5-12(18)6-8-13/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate?
propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate has a molecular weight of 345.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-(4-fluorophenyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetate is sourced from PubChem (CID 3214227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).