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

C18H19N3O2 — CID 93209557

IUPAC2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cccc(-c2nc3cc(C)cnc3n2C(C)(C)C(=O)O)c1
InChIInChI=1S/C18H19N3O2/c1-11-6-5-7-13(8-11)15-20-14-9-12(2)10-19-16(14)21(15)18(3,4)17(22)23/h5-10H,1-4H3,(H,22,23)
InChIKeyZGBGBMFLCDKBTA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.53
Rot. Bonds3

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

2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (PubChem CID 93209557) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
PubChem CID93209557
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
SMILESCc1cccc(-c2nc3cc(C)cnc3n2C(C)(C)C(=O)O)c1
InChIInChI=1S/C18H19N3O2/c1-11-6-5-7-13(8-11)15-20-14-9-12(2)10-19-16(14)21(15)18(3,4)17(22)23/h5-10H,1-4H3,(H,22,23)
InChIKeyZGBGBMFLCDKBTA-UHFFFAOYSA-N
XLogP3.53
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 93209564
2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745948
2-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745949
2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
1-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]-2-methylpropan-2-amine
CID 94746856
2-[6-chloro-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 82150810
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
CID 82152081
2-(2-tert-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 82143426
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid (CID 93209557) is 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is Cc1cccc(-c2nc3cc(C)cnc3n2C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
The InChIKey is ZGBGBMFLCDKBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11-6-5-7-13(8-11)15-20-14-9-12(2)10-19-16(14)21(15)18(3,4)17(22)23/h5-10H,1-4H3,(H,22,23).
What are the key properties of 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid?
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 93209557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).