3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

C20H16N4O2 — CID 139932433

IUPAC3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)c1cccc(-n2c(=O)n(Cc3ccncc3)c3cccnc32)c1
InChIInChI=1S/C20H16N4O2/c1-14(25)16-4-2-5-17(12-16)24-19-18(6-3-9-22-19)23(20(24)26)13-15-7-10-21-11-8-15/h2-12H,13H2,1H3
InChIKeyNJHCELORODQOLG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.83
Rot. Bonds4

About 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one

3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (PubChem CID 139932433) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
PubChem CID139932433
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)c1cccc(-n2c(=O)n(Cc3ccncc3)c3cccnc32)c1
InChIInChI=1S/C20H16N4O2/c1-14(25)16-4-2-5-17(12-16)24-19-18(6-3-9-22-19)23(20(24)26)13-15-7-10-21-11-8-15/h2-12H,13H2,1H3
InChIKeyNJHCELORODQOLG-UHFFFAOYSA-N
XLogP2.83
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
CID 139932464
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932468
3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
CID 139932415
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172
N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
CID 139932436
3-(1,3-benzodioxol-5-yl)-1-phenacylimidazo[4,5-b]pyridin-2-one;propan-2-one
CID 90672093
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902
N-benzyl-N-methyl-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159300
1-[3-(hydroxymethyl)phenyl]-3-(pyridin-3-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19781682
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244
methyl 3-[3-[(5-methyl-2-pyridinyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862096

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one (CID 139932433) is 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is CC(=O)c1cccc(-n2c(=O)n(Cc3ccncc3)c3cccnc32)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
The InChIKey is NJHCELORODQOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-14(25)16-4-2-5-17(12-16)24-19-18(6-3-9-22-19)23(20(24)26)13-15-7-10-21-11-8-15/h2-12H,13H2,1H3.
What are the key properties of 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one?
3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one has a molecular weight of 344.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139932433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).