ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

C17H14Cl3N3O2 — CID 83282409

IUPACethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C17H14Cl3N3O2/c1-2-25-14(24)8-21-17-15(10-3-5-11(18)6-4-10)22-16-13(20)7-12(19)9-23(16)17/h3-7,9,21H,2,8H2,1H3
InChIKeyXCCJPFKLRPRRQO-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.94
Rot. Bonds5

About ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate

ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (PubChem CID 83282409) has the molecular formula C17H14Cl3N3O2 and a molecular weight of 398.68 g/mol. Its IUPAC name is ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
PubChem CID83282409
Molecular FormulaC17H14Cl3N3O2
Molecular Weight398.68 g/mol
Exact Mass397.02
IUPAC Nameethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12
InChIInChI=1S/C17H14Cl3N3O2/c1-2-25-14(24)8-21-17-15(10-3-5-11(18)6-4-10)22-16-13(20)7-12(19)9-23(16)17/h3-7,9,21H,2,8H2,1H3
InChIKeyXCCJPFKLRPRRQO-UHFFFAOYSA-N
XLogP4.94
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate (CID 83282409) is ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12.
What is the InChIKey of ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
The InChIKey is XCCJPFKLRPRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3N3O2/c1-2-25-14(24)8-21-17-15(10-3-5-11(18)6-4-10)22-16-13(20)7-12(19)9-23(16)17/h3-7,9,21H,2,8H2,1H3.
What are the key properties of ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate?
ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate has a molecular weight of 398.68 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]acetate is sourced from PubChem (CID 83282409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).