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

C21H18N4O2 — CID 139932464

IUPAC3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)c1cccc(-n2c(=O)n(Cc3ccc(N)cc3)c3cccnc32)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)16-4-2-5-18(12-16)25-20-19(6-3-11-23-20)24(21(25)27)13-15-7-9-17(22)10-8-15/h2-12H,13,22H2,1H3
InChIKeyBMLJVISHQMKKBC-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.02
Rot. Bonds4

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

3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one (PubChem CID 139932464) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
PubChem CID139932464
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one
SMILESCC(=O)c1cccc(-n2c(=O)n(Cc3ccc(N)cc3)c3cccnc32)c1
InChIInChI=1S/C21H18N4O2/c1-14(26)16-4-2-5-18(12-16)25-20-19(6-3-11-23-20)24(21(25)27)13-15-7-9-17(22)10-8-15/h2-12H,13,22H2,1H3
InChIKeyBMLJVISHQMKKBC-UHFFFAOYSA-N
XLogP3.02
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(3-acetylphenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932433
3-(3-aminophenyl)-1-[[4-(dimethylamino)phenyl]methyl]imidazo[4,5-b]pyridin-2-one
CID 139932415
N,2-dimethyl-N-[4-[[3-(3-nitrophenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]propanamide
CID 139932436
3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 139932468
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
2-[1-[(4-aminophenyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
CID 11673768
6-(3-acetylphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 17255818
1-[3-(oxidoamino)phenyl]-3-(pyridin-4-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 142045172
methyl 3-[3-[(5-methyl-2-pyridinyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
CID 67862096
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]-3-(dimethylamino)benzamide
CID 71841244

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one (CID 139932464) is 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one is CC(=O)c1cccc(-n2c(=O)n(Cc3ccc(N)cc3)c3cccnc32)c1.
What is the InChIKey of 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one?
The InChIKey is BMLJVISHQMKKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(26)16-4-2-5-18(12-16)25-20-19(6-3-11-23-20)24(21(25)27)13-15-7-9-17(22)10-8-15/h2-12H,13,22H2,1H3.
What are the key properties of 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one?
3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one has a molecular weight of 358.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylphenyl)-1-[(4-aminophenyl)methyl]imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 139932464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).