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

C19H14FN3O3S — CID 134493854

IUPAC6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
InChIInChI=1S/C19H14FN3O3S/c1-26-16-8-12(20)4-5-13(16)11-7-14-18(21-9-11)22-19(25)23(14)10-15(24)17-3-2-6-27-17/h2-9H,10H2,1H3,(H,21,22,25)
InChIKeyQJYKOFHHQQZJII-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.48
Rot. Bonds5

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

6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134493854) has the molecular formula C19H14FN3O3S and a molecular weight of 383.40 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134493854
Molecular FormulaC19H14FN3O3S
Molecular Weight383.40 g/mol
Exact Mass383.07
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
SMILESCOc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1
InChIInChI=1S/C19H14FN3O3S/c1-26-16-8-12(20)4-5-13(16)11-7-14-18(21-9-11)22-19(25)23(14)10-15(24)17-3-2-6-27-17/h2-9H,10H2,1H3,(H,21,22,25)
InChIKeyQJYKOFHHQQZJII-UHFFFAOYSA-N
XLogP3.48
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one (CID 134493854) is 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is COc1cc(F)ccc1-c1cnc2[nH]c(=O)n(CC(=O)c3cccs3)c2c1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is QJYKOFHHQQZJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O3S/c1-26-16-8-12(20)4-5-13(16)11-7-14-18(21-9-11)22-19(25)23(14)10-15(24)17-3-2-6-27-17/h2-9H,10H2,1H3,(H,21,22,25).
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one?
6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 383.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-1-(2-oxo-2-thiophen-2-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).