7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

C20H15ClFN3O3 — CID 53118130

IUPAC7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccc(OC)c(-c2cn3ccn(-c4ccc(F)c(Cl)c4)c(=O)c3n2)c1
InChIInChI=1S/C20H15ClFN3O3/c1-27-13-4-6-18(28-2)14(10-13)17-11-24-7-8-25(20(26)19(24)23-17)12-3-5-16(22)15(21)9-12/h3-11H,1-2H3
InChIKeyNUMFXLXPGLXUPJ-UHFFFAOYSA-N
MW399.81 g/mol
LogP3.96
Rot. Bonds4

About 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one

7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118130) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118130
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccc(OC)c(-c2cn3ccn(-c4ccc(F)c(Cl)c4)c(=O)c3n2)c1
InChIInChI=1S/C20H15ClFN3O3/c1-27-13-4-6-18(28-2)14(10-13)17-11-24-7-8-25(20(26)19(24)23-17)12-3-5-16(22)15(21)9-12/h3-11H,1-2H3
InChIKeyNUMFXLXPGLXUPJ-UHFFFAOYSA-N
XLogP3.96
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one 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 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118130) is 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is COc1ccc(OC)c(-c2cn3ccn(-c4ccc(F)c(Cl)c4)c(=O)c3n2)c1.
What is the InChIKey of 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is NUMFXLXPGLXUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-27-13-4-6-18(28-2)14(10-13)17-11-24-7-8-25(20(26)19(24)23-17)12-3-5-16(22)15(21)9-12/h3-11H,1-2H3.
What are the key properties of 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 399.81 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-4-fluorophenyl)-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).