2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C11H11N3O2 — CID 80503887

IUPAC2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3CCC3)[nH]c2c1
InChIInChI=1S/C11H11N3O2/c15-11(16)7-4-8-10(12-5-7)14-9(13-8)6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyANHNJQCRBMNMIB-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.92
Rot. Bonds2

About 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 80503887) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID80503887
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(C3CCC3)[nH]c2c1
InChIInChI=1S/C11H11N3O2/c15-11(16)7-4-8-10(12-5-7)14-9(13-8)6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,12,13,14)
InChIKeyANHNJQCRBMNMIB-UHFFFAOYSA-N
XLogP1.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 80502932
2-(oxan-4-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821326
2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 106893193
2-amino-1-(2-cyclopropyl-1H-imidazo[4,5-b]pyridin-6-yl)propan-1-one
CID 84693537
6-chloro-2-cyclohexyl-1H-imidazo[4,5-b]pyridine
CID 82142257
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-amino-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820572
2-(thian-4-ylmethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 83136569
tert-butyl (3R)-3-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 95387218
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
(8-cyclobutyl-7H-purin-2-yl)methanol
CID 67750087
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 80503887) is 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(C3CCC3)[nH]c2c1.
What is the InChIKey of 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is ANHNJQCRBMNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-11(16)7-4-8-10(12-5-7)14-9(13-8)6-2-1-3-6/h4-6H,1-3H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 80503887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).