2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid

C17H15N3O2 — CID 67311679

IUPAC2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC1n1cnc2cccnc21
InChIInChI=1S/C17H15N3O2/c21-16(22)17(12-5-2-1-3-6-12)9-8-14(17)20-11-19-13-7-4-10-18-15(13)20/h1-7,10-11,14H,8-9H2,(H,21,22)
InChIKeyWBZLEPHKOSSVCK-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.79
Rot. Bonds3

About 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid

2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid (PubChem CID 67311679) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid
PubChem CID67311679
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCC1n1cnc2cccnc21
InChIInChI=1S/C17H15N3O2/c21-16(22)17(12-5-2-1-3-6-12)9-8-14(17)20-11-19-13-7-4-10-18-15(13)20/h1-7,10-11,14H,8-9H2,(H,21,22)
InChIKeyWBZLEPHKOSSVCK-UHFFFAOYSA-N
XLogP2.79
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166161
3-(benzimidazol-1-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid;hydrochloride
CID 177184374
[1-(4-chlorophenyl)cyclobutyl]-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)methanone
CID 16674629
2-cyclopentyl-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-2-phenylethanone
CID 16674773
2-hydroxy-1-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-3-methyl-2-phenylbutan-1-one
CID 166307452
tert-butyl 4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxylate
CID 11255100
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)acetamide
CID 46958748
N-(2,3-dimethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286518
N-(3,5-dimethoxyphenyl)-4-imidazo[4,5-b]pyridin-3-ylpiperidine-1-carboxamide
CID 46286550
1-imidazo[4,5-b]pyridin-3-yl-3-phenylurea
CID 134121029
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873
(2R,3S,5R)-2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol
CID 162472600

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid (CID 67311679) is 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid is O=C(O)C1(c2ccccc2)CCC1n1cnc2cccnc21.
What is the InChIKey of 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid?
The InChIKey is WBZLEPHKOSSVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(22)17(12-5-2-1-3-6-12)9-8-14(17)20-11-19-13-7-4-10-18-15(13)20/h1-7,10-11,14H,8-9H2,(H,21,22).
What are the key properties of 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid?
2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[4,5-b]pyridin-3-yl-1-phenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 67311679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).