ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate

C17H16ClN3O2 — CID 860305

IUPACethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H16ClN3O2/c1-2-23-15(22)10-19-17-16(12-6-4-3-5-7-12)20-14-9-8-13(18)11-21(14)17/h3-9,11,19H,2,10H2,1H3
InChIKeyUEHLCTOJVIDHGL-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.63
Rot. Bonds5

About ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate

ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (PubChem CID 860305) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
PubChem CID860305
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H16ClN3O2/c1-2-23-15(22)10-19-17-16(12-6-4-3-5-7-12)20-14-9-8-13(18)11-21(14)17/h3-9,11,19H,2,10H2,1H3
InChIKeyUEHLCTOJVIDHGL-UHFFFAOYSA-N
XLogP3.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 4205241
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CID 3594650
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CID 4302692
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CID 16285885
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CID 809041
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CID 853372
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CID 3802200
CID 3802200

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The IUPAC name of ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate (CID 860305) is ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is CCOC(=O)CNc1c(-c2ccccc2)nc2ccc(Cl)cn12.
What is the InChIKey of ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
The InChIKey is UEHLCTOJVIDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-2-23-15(22)10-19-17-16(12-6-4-3-5-7-12)20-14-9-8-13(18)11-21(14)17/h3-9,11,19H,2,10H2,1H3.
What are the key properties of ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate?
ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate has a molecular weight of 329.79 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)amino]acetate is sourced from PubChem (CID 860305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).