2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid

C13H17N3O2 — CID 82479909

IUPAC2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCn1c(CC(C)(C)C)nc2cc(C(=O)O)cnc21
InChIInChI=1S/C13H17N3O2/c1-13(2,3)6-10-15-9-5-8(12(17)18)7-14-11(9)16(10)4/h5,7H,6H2,1-4H3,(H,17,18)
InChIKeyYUYATNMGLGXXGJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.26
Rot. Bonds2

About 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid

2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82479909) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82479909
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCn1c(CC(C)(C)C)nc2cc(C(=O)O)cnc21
InChIInChI=1S/C13H17N3O2/c1-13(2,3)6-10-15-9-5-8(12(17)18)7-14-11(9)16(10)4/h5,7H,6H2,1-4H3,(H,17,18)
InChIKeyYUYATNMGLGXXGJ-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475545
(6-amino-3-methylimidazo[4,5-b]pyridin-2-yl)methanol
CID 66888727
3-butyl-2-methylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82475538
3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
1-cyclopropyl-2-(2,2-dimethylpropyl)benzimidazole-5-carboxylic acid
CID 82488600
3-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 55263882
3-cyclopropyl-2-[[4-(fluoromethyl)cyclohexyl]methyl]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 163563835
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
methyl 2-[2-(4-cyanophenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 18412708
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
2-methyl-2-(6-methyl-2-propylimidazo[4,5-b]pyridin-3-yl)propanoic acid
CID 82061486

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid (CID 82479909) is 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid is Cn1c(CC(C)(C)C)nc2cc(C(=O)O)cnc21.
What is the InChIKey of 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is YUYATNMGLGXXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2,3)6-10-15-9-5-8(12(17)18)7-14-11(9)16(10)4/h5,7H,6H2,1-4H3,(H,17,18).
What are the key properties of 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid?
2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 247.30 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-3-methylimidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82479909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).