4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid

C17H17N3O3 — CID 66720258

IUPAC4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid
SMILESCCOc1cc(-n2c(C)nc3cc(C)cnc32)ccc1C(=O)O
InChIInChI=1S/C17H17N3O3/c1-4-23-15-8-12(5-6-13(15)17(21)22)20-11(3)19-14-7-10(2)9-18-16(14)20/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeyILMLHJVPFPRGMD-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.13
Rot. Bonds4

About 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid

4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid (PubChem CID 66720258) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid.

Molecular Properties

Compound Name4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid
PubChem CID66720258
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid
SMILESCCOc1cc(-n2c(C)nc3cc(C)cnc32)ccc1C(=O)O
InChIInChI=1S/C17H17N3O3/c1-4-23-15-8-12(5-6-13(15)17(21)22)20-11(3)19-14-7-10(2)9-18-16(14)20/h5-9H,4H2,1-3H3,(H,21,22)
InChIKeyILMLHJVPFPRGMD-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-methyl-3-(4-methylphenyl)imidazo[4,5-b]pyridine-6-carboxylate
CID 164990652
4-ethoxy-6-methylpyridine-3-carboxylic acid
CID 81230098
3-ethyl-2,6-dimethylimidazo[4,5-b]pyridine
CID 162381340
6-methyl-3-(4-propoxyphenyl)imidazo[4,5-b]pyridin-2-amine
CID 79277756
2-(2,4-diethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3507309
2-(2,4-diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-(2-ethoxyethoxy)-4-methylbenzoic acid
CID 60676352
methyl 3-[3-ethoxy-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-2-methylbenzimidazole-4-carboxylate
CID 67579147
2-ethoxy-4-(2-methylprop-2-enoyloxy)benzoic acid;hydrochloride
CID 69497171
1-(4-ethoxyphenyl)-5-methylpyrazole-4-carboxylic acid
CID 82086071
2-ethoxy-4-(2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)benzoic acid
CID 121456026
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-ethoxybenzamide
CID 41077216

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid?
The IUPAC name of 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid (CID 66720258) is 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid.
What is the SMILES notation for 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid?
The canonical SMILES for 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid is CCOc1cc(-n2c(C)nc3cc(C)cnc32)ccc1C(=O)O.
What is the InChIKey of 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid?
The InChIKey is ILMLHJVPFPRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-4-23-15-8-12(5-6-13(15)17(21)22)20-11(3)19-14-7-10(2)9-18-16(14)20/h5-9H,4H2,1-3H3,(H,21,22).
What are the key properties of 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid?
4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid has a molecular weight of 311.34 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylimidazo[4,5-b]pyridin-3-yl)-2-ethoxybenzoic acid is sourced from PubChem (CID 66720258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).