ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

C18H18ClN3O2 — CID 42738246

IUPACethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2Cl)nc2cccc(C)n12
InChIInChI=1S/C18H18ClN3O2/c1-3-24-16(23)11-20-18-17(13-8-4-5-9-14(13)19)21-15-10-6-7-12(2)22(15)18/h4-10,20H,3,11H2,1-2H3
InChIKeyBSLRLIVEYBILEO-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.94
Rot. Bonds5

About ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate

ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 42738246) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID42738246
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Nameethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccccc2Cl)nc2cccc(C)n12
InChIInChI=1S/C18H18ClN3O2/c1-3-24-16(23)11-20-18-17(13-8-4-5-9-14(13)19)21-15-10-6-7-12(2)22(15)18/h4-10,20H,3,11H2,1-2H3
InChIKeyBSLRLIVEYBILEO-UHFFFAOYSA-N
XLogP3.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 42738246) is ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccccc2Cl)nc2cccc(C)n12.
What is the InChIKey of ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is BSLRLIVEYBILEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-3-24-16(23)11-20-18-17(13-8-4-5-9-14(13)19)21-15-10-6-7-12(2)22(15)18/h4-10,20H,3,11H2,1-2H3.
What are the key properties of ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 343.81 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 42738246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).