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

C20H17N3O3S — CID 134493640

IUPAC6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)c4cccs4)c3c2)c1
InChIInChI=1S/C20H17N3O3S/c1-2-26-15-6-3-5-13(9-15)14-10-16-19(21-11-14)22-20(25)23(16)12-17(24)18-7-4-8-27-18/h3-11H,2,12H2,1H3,(H,21,22,25)
InChIKeyPHWFXSUUZJACQL-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.73
Rot. Bonds6

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

6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493640) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493640
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC Name6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCCOc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)c4cccs4)c3c2)c1
InChIInChI=1S/C20H17N3O3S/c1-2-26-15-6-3-5-13(9-15)14-10-16-19(21-11-14)22-20(25)23(16)12-17(24)18-7-4-8-27-18/h3-11H,2,12H2,1H3,(H,21,22,25)
InChIKeyPHWFXSUUZJACQL-UHFFFAOYSA-N
XLogP3.73
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493640) is 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is CCOc1cccc(-c2cnc3[nH]c(=O)n(CC(=O)c4cccs4)c3c2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is PHWFXSUUZJACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-2-26-15-6-3-5-13(9-15)14-10-16-19(21-11-14)22-20(25)23(16)12-17(24)18-7-4-8-27-18/h3-11H,2,12H2,1H3,(H,21,22,25).
What are the key properties of 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).