2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate

C18H13N2O3- — CID 140678681

IUPAC2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
SMILESO=C([O-])COCc1nc2ccccn2c1C#Cc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-18(22)13-23-12-15-16(10-9-14-6-2-1-3-7-14)20-11-5-4-8-17(20)19-15/h1-8,11H,12-13H2,(H,21,22)/p-1
InChIKeySOQBNVJAWHTKFK-UHFFFAOYSA-M
MW305.31 g/mol
LogP1.00
Rot. Bonds4

About 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate

2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate (PubChem CID 140678681) has the molecular formula C18H13N2O3- and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate.

Molecular Properties

Compound Name2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
PubChem CID140678681
Molecular FormulaC18H13N2O3-
Molecular Weight305.31 g/mol
Exact Mass305.09
IUPAC Name2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate
SMILESO=C([O-])COCc1nc2ccccn2c1C#Cc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-18(22)13-23-12-15-16(10-9-14-6-2-1-3-7-14)20-11-5-4-8-17(20)19-15/h1-8,11H,12-13H2,(H,21,22)/p-1
InChIKeySOQBNVJAWHTKFK-UHFFFAOYSA-M
XLogP1.00
TPSA66.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate?
The IUPAC name of 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate (CID 140678681) is 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate.
What is the SMILES notation for 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate?
The canonical SMILES for 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate is O=C([O-])COCc1nc2ccccn2c1C#Cc1ccccc1.
What is the InChIKey of 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate?
The InChIKey is SOQBNVJAWHTKFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H14N2O3/c21-18(22)13-23-12-15-16(10-9-14-6-2-1-3-7-14)20-11-5-4-8-17(20)19-15/h1-8,11H,12-13H2,(H,21,22)/p-1.
What are the key properties of 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate?
2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate has a molecular weight of 305.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-phenylethynyl)imidazo[1,2-a]pyridin-2-yl]methoxy]acetate is sourced from PubChem (CID 140678681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).