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

C17H17N3O2 — CID 861257

IUPACethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H17N3O2/c1-2-22-15(21)12-18-17-16(13-8-4-3-5-9-13)19-14-10-6-7-11-20(14)17/h3-11,18H,2,12H2,1H3
InChIKeyWMAPFMLTDHPAMA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.98
Rot. Bonds5

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

ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 861257) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID861257
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Nameethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C17H17N3O2/c1-2-22-15(21)12-18-17-16(13-8-4-3-5-9-13)19-14-10-6-7-11-20(14)17/h3-11,18H,2,12H2,1H3
InChIKeyWMAPFMLTDHPAMA-UHFFFAOYSA-N
XLogP2.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 861257) is ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is CCOC(=O)CNc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is WMAPFMLTDHPAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-2-22-15(21)12-18-17-16(13-8-4-3-5-9-13)19-14-10-6-7-11-20(14)17/h3-11,18H,2,12H2,1H3.
What are the key properties of ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 295.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 861257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).