ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

C17H14N2O3 — CID 5115064

IUPACethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)16(20)15-14(12-8-4-3-5-9-12)18-13-10-6-7-11-19(13)15/h3-11H,2H2,1H3
InChIKeyPUNQZWZQISOPOW-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.75
Rot. Bonds4

About ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate

ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 5115064) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID5115064
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Nameethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H14N2O3/c1-2-22-17(21)16(20)15-14(12-8-4-3-5-9-12)18-13-10-6-7-11-19(13)15/h3-11H,2H2,1H3
InChIKeyPUNQZWZQISOPOW-UHFFFAOYSA-N
XLogP2.75
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 5115064) is ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is PUNQZWZQISOPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-2-22-17(21)16(20)15-14(12-8-4-3-5-9-12)18-13-10-6-7-11-19(13)15/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 294.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 5115064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).