2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

C18H19N3O2 — CID 93209564

IUPAC2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCc1cnc2c(c1)nc(Cc1ccccc1)n2C(C)(C)C(=O)O
InChIInChI=1S/C18H19N3O2/c1-12-9-14-16(19-11-12)21(18(2,3)17(22)23)15(20-14)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23)
InChIKeyLFTXOWKBIRBBQT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.15
Rot. Bonds4

About 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid

2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (PubChem CID 93209564) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
PubChem CID93209564
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
SMILESCc1cnc2c(c1)nc(Cc1ccccc1)n2C(C)(C)C(=O)O
InChIInChI=1S/C18H19N3O2/c1-12-9-14-16(19-11-12)21(18(2,3)17(22)23)15(20-14)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23)
InChIKeyLFTXOWKBIRBBQT-UHFFFAOYSA-N
XLogP3.15
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061496
3-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209586
2-ethyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)butanoic acid
CID 82152081
2-(3-tert-butyl-6-methylimidazo[4,5-b]pyridin-2-yl)sulfanylacetic acid
CID 79301170
2-(2-benzyl-6-chloroimidazo[4,5-b]pyridin-3-yl)ethanol
CID 82150820
2-[6-methyl-2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 82061603
2-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745949
2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745948
2-[2-(2-fluorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061424
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid (CID 93209564) is 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is Cc1cnc2c(c1)nc(Cc1ccccc1)n2C(C)(C)C(=O)O.
What is the InChIKey of 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
The InChIKey is LFTXOWKBIRBBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-9-14-16(19-11-12)21(18(2,3)17(22)23)15(20-14)10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid?
2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid has a molecular weight of 309.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-6-methylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 93209564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).