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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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).