4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid

C16H15N3O2 — CID 117166780

IUPAC4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
SMILESCn1c(CCc2ccc(C(=O)O)cc2)nc2cccnc21
InChIInChI=1S/C16H15N3O2/c1-19-14(18-13-3-2-10-17-15(13)19)9-6-11-4-7-12(8-5-11)16(20)21/h2-5,7-8,10H,6,9H2,1H3,(H,20,21)
InChIKeyXXKYDQZXPUVTDD-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.45
Rot. Bonds4

About 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid

4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid (PubChem CID 117166780) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
PubChem CID117166780
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid
SMILESCn1c(CCc2ccc(C(=O)O)cc2)nc2cccnc21
InChIInChI=1S/C16H15N3O2/c1-19-14(18-13-3-2-10-17-15(13)19)9-6-11-4-7-12(8-5-11)16(20)21/h2-5,7-8,10H,6,9H2,1H3,(H,20,21)
InChIKeyXXKYDQZXPUVTDD-UHFFFAOYSA-N
XLogP2.45
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
4-[[(3S)-1-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]pyrrolidin-3-yl]methyl]benzoic acid
CID 95862686
5-(3-methylimidazo[4,5-b]pyridin-2-yl)pentanoic acid
CID 63757796
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278481
4-[[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]benzoic acid
CID 50742731
2-fluoro-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 53143732
4-fluoro-N-[2-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]benzamide
CID 83278480
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 63756762
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
2-(3-methoxyphenyl)-N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]acetamide
CID 53143714

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid?
The IUPAC name of 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid (CID 117166780) is 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid is Cn1c(CCc2ccc(C(=O)O)cc2)nc2cccnc21.
What is the InChIKey of 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid?
The InChIKey is XXKYDQZXPUVTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19-14(18-13-3-2-10-17-15(13)19)9-6-11-4-7-12(8-5-11)16(20)21/h2-5,7-8,10H,6,9H2,1H3,(H,20,21).
What are the key properties of 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid?
4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid has a molecular weight of 281.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]benzoic acid is sourced from PubChem (CID 117166780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).