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

C22H20ClN3O4 — CID 53118127

IUPAC7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccc(-c2cn3ccn(-c4cc(C)c(Cl)cc4OC)c(=O)c3n2)cc1OC
InChIInChI=1S/C22H20ClN3O4/c1-13-9-17(19(29-3)11-15(13)23)26-8-7-25-12-16(24-21(25)22(26)27)14-5-6-18(28-2)20(10-14)30-4/h5-12H,1-4H3
InChIKeyQAIQDDQOADXVQC-UHFFFAOYSA-N
MW425.87 g/mol
LogP4.14
Rot. Bonds5

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

7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (PubChem CID 53118127) has the molecular formula C22H20ClN3O4 and a molecular weight of 425.87 g/mol. Its IUPAC name is 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
PubChem CID53118127
Molecular FormulaC22H20ClN3O4
Molecular Weight425.87 g/mol
Exact Mass425.11
IUPAC Name7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one
SMILESCOc1ccc(-c2cn3ccn(-c4cc(C)c(Cl)cc4OC)c(=O)c3n2)cc1OC
InChIInChI=1S/C22H20ClN3O4/c1-13-9-17(19(29-3)11-15(13)23)26-8-7-25-12-16(24-21(25)22(26)27)14-5-6-18(28-2)20(10-14)30-4/h5-12H,1-4H3
InChIKeyQAIQDDQOADXVQC-UHFFFAOYSA-N
XLogP4.14
TPSA66.99 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.87
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The IUPAC name of 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one (CID 53118127) is 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is COc1ccc(-c2cn3ccn(-c4cc(C)c(Cl)cc4OC)c(=O)c3n2)cc1OC.
What is the InChIKey of 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
The InChIKey is QAIQDDQOADXVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4/c1-13-9-17(19(29-3)11-15(13)23)26-8-7-25-12-16(24-21(25)22(26)27)14-5-6-18(28-2)20(10-14)30-4/h5-12H,1-4H3.
What are the key properties of 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one?
7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one has a molecular weight of 425.87 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methoxy-5-methylphenyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-one is sourced from PubChem (CID 53118127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).