2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one

C21H19N3O3 — CID 53118095

IUPAC2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(OC)cc4)c(=O)c3n2)cc1
InChIInChI=1S/C21H19N3O3/c1-3-27-18-8-4-15(5-9-18)19-14-23-12-13-24(21(25)20(23)22-19)16-6-10-17(26-2)11-7-16/h4-14H,3H2,1-2H3
InChIKeyJCZBNNUCHDPONG-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.56
Rot. Bonds5

About 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one

2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118095) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118095
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(OC)cc4)c(=O)c3n2)cc1
InChIInChI=1S/C21H19N3O3/c1-3-27-18-8-4-15(5-9-18)19-14-23-12-13-24(21(25)20(23)22-19)16-6-10-17(26-2)11-7-16/h4-14H,3H2,1-2H3
InChIKeyJCZBNNUCHDPONG-UHFFFAOYSA-N
XLogP3.56
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118095) is 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one is CCOc1ccc(-c2cn3ccn(-c4ccc(OC)cc4)c(=O)c3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is JCZBNNUCHDPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-3-27-18-8-4-15(5-9-18)19-14-23-12-13-24(21(25)20(23)22-19)16-6-10-17(26-2)11-7-16/h4-14H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 361.40 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-7-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).