4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid

C14H11N3O2 — CID 82513914

IUPAC4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1cnc2cccnc21
InChIInChI=1S/C14H11N3O2/c1-9-7-10(14(18)19)4-5-12(9)17-8-16-11-3-2-6-15-13(11)17/h2-8H,1H3,(H,18,19)
InChIKeyNMOFJTHUTOTWPM-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.43
Rot. Bonds2

About 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid

4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid (PubChem CID 82513914) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid.

Molecular Properties

Compound Name4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
PubChem CID82513914
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1-n1cnc2cccnc21
InChIInChI=1S/C14H11N3O2/c1-9-7-10(14(18)19)4-5-12(9)17-8-16-11-3-2-6-15-13(11)17/h2-8H,1H3,(H,18,19)
InChIKeyNMOFJTHUTOTWPM-UHFFFAOYSA-N
XLogP2.43
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazo[4,5-b]pyridin-3-yl-4-methoxybenzoic acid
CID 82514468
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
3-(2,3-dimethylphenyl)benzimidazole-5-carboxylic acid
CID 82790901
3-(2,4-dimethylphenyl)benzimidazole-4-carboxylic acid
CID 115932632
3-methyl-4-(tetrazol-1-yl)benzoic acid
CID 16775489
4-chloro-3-imidazo[4,5-b]pyridin-3-yl-N-(2-phenylethyl)benzamide
CID 46277393
5-imidazo[4,5-b]pyridin-3-yl-2-methylaniline
CID 82512845
2-bromo-1-(4-imidazo[4,5-b]pyridin-3-ylphenyl)ethanone;hydrobromide
CID 162335938
3-(2-methoxyphenyl)imidazo[4,5-b]pyridine
CID 117166289
4-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]benzoic acid
CID 117166768
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
(3-imidazo[4,5-b]pyridin-3-ylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 46277244

Frequently Asked Questions

What is the IUPAC name of 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid?
The IUPAC name of 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid (CID 82513914) is 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid.
What is the SMILES notation for 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid?
The canonical SMILES for 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1-n1cnc2cccnc21.
What is the InChIKey of 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid?
The InChIKey is NMOFJTHUTOTWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-7-10(14(18)19)4-5-12(9)17-8-16-11-3-2-6-15-13(11)17/h2-8H,1H3,(H,18,19).
What are the key properties of 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid?
4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazo[4,5-b]pyridin-3-yl-3-methylbenzoic acid is sourced from PubChem (CID 82513914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).