ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate

C16H15ClN4O2 — CID 3243402

IUPACethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12
InChIInChI=1S/C16H15ClN4O2/c1-2-23-14(22)10-19-16-15(11-3-5-12(17)6-4-11)20-13-9-18-7-8-21(13)16/h3-9,19H,2,10H2,1H3
InChIKeyIXYQKPGHXZWXEK-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.02
Rot. Bonds5

About ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate

ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate (PubChem CID 3243402) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate
PubChem CID3243402
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Nameethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate
SMILESCCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12
InChIInChI=1S/C16H15ClN4O2/c1-2-23-14(22)10-19-16-15(11-3-5-12(17)6-4-11)20-13-9-18-7-8-21(13)16/h3-9,19H,2,10H2,1H3
InChIKeyIXYQKPGHXZWXEK-UHFFFAOYSA-N
XLogP3.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate (CID 3243402) is ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate is CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12.
What is the InChIKey of ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
The InChIKey is IXYQKPGHXZWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-2-23-14(22)10-19-16-15(11-3-5-12(17)6-4-11)20-13-9-18-7-8-21(13)16/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate?
ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate has a molecular weight of 330.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]acetate is sourced from PubChem (CID 3243402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).