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

C17H16N2O2 — CID 10707875

IUPACethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H16N2O2/c1-2-21-16(20)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-19(14)15/h3-11H,2,12H2,1H3
InChIKeyLOBPWBDOZSRNTJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.11
Rot. Bonds4

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

ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (PubChem CID 10707875) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
PubChem CID10707875
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
SMILESCCOC(=O)Cc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H16N2O2/c1-2-21-16(20)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-19(14)15/h3-11H,2,12H2,1H3
InChIKeyLOBPWBDOZSRNTJ-UHFFFAOYSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The IUPAC name of ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate (CID 10707875) is ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The canonical SMILES for ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is CCOC(=O)Cc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
The InChIKey is LOBPWBDOZSRNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-2-21-16(20)12-14-17(13-8-4-3-5-9-13)18-15-10-6-7-11-19(14)15/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate?
ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate has a molecular weight of 280.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate is sourced from PubChem (CID 10707875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).