6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

C20H16FN3O3S — CID 134494103

IUPAC6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
InChIInChI=1S/C20H16FN3O3S/c1-2-27-17-6-5-13(21)9-14(17)12-8-15-19(22-10-12)23-20(26)24(15)11-16(25)18-4-3-7-28-18/h3-10H,2,11H2,1H3,(H,22,23,26)
InChIKeyDIPMLIDTRAAYLF-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.87
Rot. Bonds6

About 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one

6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134494103) has the molecular formula C20H16FN3O3S and a molecular weight of 397.43 g/mol. Its IUPAC name is 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134494103
Molecular FormulaC20H16FN3O3S
Molecular Weight397.43 g/mol
Exact Mass397.09
IUPAC Name6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
InChIInChI=1S/C20H16FN3O3S/c1-2-27-17-6-5-13(21)9-14(17)12-8-15-19(22-10-12)23-20(26)24(15)11-16(25)18-4-3-7-28-18/h3-10H,2,11H2,1H3,(H,22,23,26)
InChIKeyDIPMLIDTRAAYLF-UHFFFAOYSA-N
XLogP3.87
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134494103) is 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1ccc(F)cc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1.
What is the InChIKey of 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DIPMLIDTRAAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3S/c1-2-27-17-6-5-13(21)9-14(17)12-8-15-19(22-10-12)23-20(26)24(15)11-16(25)18-4-3-7-28-18/h3-10H,2,11H2,1H3,(H,22,23,26).
What are the key properties of 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 397.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxy-5-fluorophenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134494103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).