3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

C21H20N4O5 — CID 46235278

IUPAC3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3ncc(-c4cc(OC)c(OC)c(OC)c4)nc32)cc1
InChIInChI=1S/C21H20N4O5/c1-27-14-7-5-13(6-8-14)25-20-19(24-21(25)26)22-11-15(23-20)12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,22,24,26)
InChIKeyIXOSDXVNAIFVQU-UHFFFAOYSA-N
MW408.41 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one

3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 46235278) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID46235278
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCOc1ccc(-n2c(=O)[nH]c3ncc(-c4cc(OC)c(OC)c(OC)c4)nc32)cc1
InChIInChI=1S/C21H20N4O5/c1-27-14-7-5-13(6-8-14)25-20-19(24-21(25)26)22-11-15(23-20)12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,22,24,26)
InChIKeyIXOSDXVNAIFVQU-UHFFFAOYSA-N
XLogP2.81
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxy-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66779239
3-(1,3-benzothiazol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 54763976
3-(2,3-dihydro-1H-indol-5-yl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 70225845
5-(4-hydroxy-3,5-dimethoxyphenyl)-3-(1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 135891286
3-[(3-methylphenyl)methyl]-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11647142
N-(2-hydroxyethyl)-3-[1-(4-methoxyphenyl)-2-oxo-3H-imidazo[4,5-b]pyrazin-5-yl]benzamide
CID 126470712
5-(4-hydroxyphenyl)-3-(2-methyl-1H-indol-5-yl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 135891295
3-benzyl-5-(2,4-dimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 11646232
4-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 2196284
4-[4-(4-methoxyphenyl)phenyl]-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 59430230
3-(4-methoxyphenyl)-1-methyl-4-(3,4,5-trimethoxyphenyl)pyrrole-2,5-dione
CID 46185200
6-(3,4-dimethoxyphenyl)-1-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 110171949

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one (CID 46235278) is 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is COc1ccc(-n2c(=O)[nH]c3ncc(-c4cc(OC)c(OC)c(OC)c4)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is IXOSDXVNAIFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-27-14-7-5-13(6-8-14)25-20-19(24-21(25)26)22-11-15(23-20)12-9-16(28-2)18(30-4)17(10-12)29-3/h5-11H,1-4H3,(H,22,24,26).
What are the key properties of 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one?
3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 408.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 46235278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).