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

C16H16N4O2 — CID 82061496

IUPAC2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCc1cnc2c(c1)nc(-c1cccnc1)n2C(C)(C)C(=O)O
InChIInChI=1S/C16H16N4O2/c1-10-7-12-14(18-8-10)20(16(2,3)15(21)22)13(19-12)11-5-4-6-17-9-11/h4-9H,1-3H3,(H,21,22)
InChIKeyCXRDHDQOENBIMM-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.62
Rot. Bonds3

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

2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid (PubChem CID 82061496) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
PubChem CID82061496
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid
SMILESCc1cnc2c(c1)nc(-c1cccnc1)n2C(C)(C)C(=O)O
InChIInChI=1S/C16H16N4O2/c1-10-7-12-14(18-8-10)20(16(2,3)15(21)22)13(19-12)11-5-4-6-17-9-11/h4-9H,1-3H3,(H,21,22)
InChIKeyCXRDHDQOENBIMM-UHFFFAOYSA-N
XLogP2.62
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745948
2-methyl-2-[6-methyl-2-(3-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 93209557
2-(6-chloro-2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)-2-methylpropanoic acid
CID 94745949
3-(6-methyl-2-phenylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061511
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
2-methoxy-N-(3-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-6-yl)benzamide
CID 169245066
2-[2-(3-chlorophenyl)-6-methylimidazo[4,5-b]pyridin-3-yl]acetic acid
CID 82061437
2-[6-methyl-2-(4-methylphenyl)imidazo[4,5-b]pyridin-3-yl]propanoic acid
CID 82061458
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
3-(4-hydroxybutyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
CID 135154211
3-[(3-fluorophenyl)methyl]-2-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117164729
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
CID 79278369

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid (CID 82061496) is 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid is Cc1cnc2c(c1)nc(-c1cccnc1)n2C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
The InChIKey is CXRDHDQOENBIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-7-12-14(18-8-10)20(16(2,3)15(21)22)13(19-12)11-5-4-6-17-9-11/h4-9H,1-3H3,(H,21,22).
What are the key properties of 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid?
2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(6-methyl-2-pyridin-3-ylimidazo[4,5-b]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 82061496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).