2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid

C17H17N3O2 — CID 82061458

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3cc(C)cnc3n2C(C)C(=O)O)cc1
InChIInChI=1S/C17H17N3O2/c1-10-4-6-13(7-5-10)15-19-14-8-11(2)9-18-16(14)20(15)12(3)17(21)22/h4-9,12H,1-3H3,(H,21,22)
InChIKeyUXXIBZMTGZQCOT-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.36
Rot. Bonds3

About 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid

2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 82061458) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID82061458
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1ccc(-c2nc3cc(C)cnc3n2C(C)C(=O)O)cc1
InChIInChI=1S/C17H17N3O2/c1-10-4-6-13(7-5-10)15-19-14-8-11(2)9-18-16(14)20(15)12(3)17(21)22/h4-9,12H,1-3H3,(H,21,22)
InChIKeyUXXIBZMTGZQCOT-UHFFFAOYSA-N
XLogP3.36
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic 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

2-[6-methyl-2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061452
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
2-[2-(1-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79301723
2-(6-chloro-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061729
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
methyl 2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 79301226
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143864
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-[2-(chloromethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]-N-propylpropanamide
CID 79300800
2-[2-(3-methoxyphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 82143855

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 82061458) is 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1ccc(-c2nc3cc(C)cnc3n2C(C)C(=O)O)cc1.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is UXXIBZMTGZQCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-4-6-13(7-5-10)15-19-14-8-11(2)9-18-16(14)20(15)12(3)17(21)22/h4-9,12H,1-3H3,(H,21,22).
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82061458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).