7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

C21H18ClN3O3 — CID 53118035

IUPAC7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(OC)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-3-28-16-7-4-14(5-8-16)18-13-24-10-11-25(21(26)20(24)23-18)15-6-9-19(27-2)17(22)12-15/h4-13H,3H2,1-2H3
InChIKeyZXEKMOGKQJUCBC-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.21
Rot. Bonds5

About 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118035) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118035
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCCOc1ccc(-c2cn3ccn(-c4ccc(OC)c(Cl)c4)c(=O)c3n2)cc1
InChIInChI=1S/C21H18ClN3O3/c1-3-28-16-7-4-14(5-8-16)18-13-24-10-11-25(21(26)20(24)23-18)15-6-9-19(27-2)17(22)12-15/h4-13H,3H2,1-2H3
InChIKeyZXEKMOGKQJUCBC-UHFFFAOYSA-N
XLogP4.21
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118035) is 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is CCOc1ccc(-c2cn3ccn(-c4ccc(OC)c(Cl)c4)c(=O)c3n2)cc1.
What is the InChIKey of 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is ZXEKMOGKQJUCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-3-28-16-7-4-14(5-8-16)18-13-24-10-11-25(21(26)20(24)23-18)15-6-9-19(27-2)17(22)12-15/h4-13H,3H2,1-2H3.
What are the key properties of 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 395.85 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).