3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one

C13H11N3O2 — CID 58345679

IUPAC3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1-n1cnc2ccc(=O)[nH]c21
InChIInChI=1S/C13H11N3O2/c1-18-11-5-3-2-4-10(11)16-8-14-9-6-7-12(17)15-13(9)16/h2-8H,1H3,(H,15,17)
InChIKeyIKOBKTUNPXBJDS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.72
Rot. Bonds2

About 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one

3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 58345679) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID58345679
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1ccccc1-n1cnc2ccc(=O)[nH]c21
InChIInChI=1S/C13H11N3O2/c1-18-11-5-3-2-4-10(11)16-8-14-9-6-7-12(17)15-13(9)16/h2-8H,1H3,(H,15,17)
InChIKeyIKOBKTUNPXBJDS-UHFFFAOYSA-N
XLogP1.72
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135462689

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one (CID 58345679) is 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one is COc1ccccc1-n1cnc2ccc(=O)[nH]c21.
What is the InChIKey of 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is IKOBKTUNPXBJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-18-11-5-3-2-4-10(11)16-8-14-9-6-7-12(17)15-13(9)16/h2-8H,1H3,(H,15,17).
What are the key properties of 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one?
3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 241.25 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 58345679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).