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

C17H17N3O2 — CID 82061512

IUPAC3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(-c1ccccc1C)n2CCC(=O)O
InChIInChI=1S/C17H17N3O2/c1-11-9-14-17(18-10-11)20(8-7-15(21)22)16(19-14)13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyWHMYTMSOOFPIAR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.19
Rot. Bonds4

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

3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 82061512) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID82061512
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cnc2c(c1)nc(-c1ccccc1C)n2CCC(=O)O
InChIInChI=1S/C17H17N3O2/c1-11-9-14-17(18-10-11)20(8-7-15(21)22)16(19-14)13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,22)
InChIKeyWHMYTMSOOFPIAR-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
2-[2-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061424
3-(2-ethyl-6-methylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061501
3-[2-(2-cyclohexylethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209597
2-[2-(2-methylphenyl)benzimidazol-1-yl]acetic acid
CID 43349122
2-[3-(3-amino-3-oxopropyl)-6-methylimidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 79301674
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
3-[3-(2-methylphenyl)-1,2,4-triazol-1-yl]propanoic acid
CID 82289099
2-[6-chloro-2-(2-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]acetic acid
CID 93209836
2-[2-(3,4-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150776
3-[2-(4-methylthiophen-3-yl)benzimidazol-1-yl]propanoic acid
CID 79808197

Frequently Asked Questions

What is the IUPAC name of 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 82061512) is 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1cnc2c(c1)nc(-c1ccccc1C)n2CCC(=O)O.
What is the InChIKey of 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is WHMYTMSOOFPIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-11-9-14-17(18-10-11)20(8-7-15(21)22)16(19-14)13-6-4-3-5-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-methyl-2-(2-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 82061512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).