2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine

C17H15N3O2 — CID 19822069

IUPAC2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1ccc(-c2nc3ncccc3[nH]2)c(OCC)c1
InChIInChI=1S/C17H15N3O2/c1-3-10-22-12-7-8-13(15(11-12)21-4-2)16-19-14-6-5-9-18-17(14)20-16/h1,5-9,11H,4,10H2,2H3,(H,18,19,20)
InChIKeyHKPPXPCAUHDLSD-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine

2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 19822069) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID19822069
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESC#CCOc1ccc(-c2nc3ncccc3[nH]2)c(OCC)c1
InChIInChI=1S/C17H15N3O2/c1-3-10-22-12-7-8-13(15(11-12)21-4-2)16-19-14-6-5-9-18-17(14)20-16/h1,5-9,11H,4,10H2,2H3,(H,18,19,20)
InChIKeyHKPPXPCAUHDLSD-UHFFFAOYSA-N
XLogP3.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 19822069) is 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is C#CCOc1ccc(-c2nc3ncccc3[nH]2)c(OCC)c1.
What is the InChIKey of 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is HKPPXPCAUHDLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-3-10-22-12-7-8-13(15(11-12)21-4-2)16-19-14-6-5-9-18-17(14)20-16/h1,5-9,11H,4,10H2,2H3,(H,18,19,20).
What are the key properties of 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine?
2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 293.33 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-prop-2-ynoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 19822069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).