2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one

C21H18N2O — CID 23248995

IUPAC2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc(-c2c(-c3ccccc3)n3cccc3c(=O)n2C)cc1
InChIInChI=1S/C21H18N2O/c1-15-10-12-17(13-11-15)19-20(16-7-4-3-5-8-16)23-14-6-9-18(23)21(24)22(19)2/h3-14H,1-2H3
InChIKeyLHDWWQJTDRXLBN-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.28
Rot. Bonds2

About 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one

2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 23248995) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID23248995
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one
SMILESCc1ccc(-c2c(-c3ccccc3)n3cccc3c(=O)n2C)cc1
InChIInChI=1S/C21H18N2O/c1-15-10-12-17(13-11-15)19-20(16-7-4-3-5-8-16)23-14-6-9-18(23)21(24)22(19)2/h3-14H,1-2H3
InChIKeyLHDWWQJTDRXLBN-UHFFFAOYSA-N
XLogP4.28
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-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 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one (CID 23248995) is 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one is Cc1ccc(-c2c(-c3ccccc3)n3cccc3c(=O)n2C)cc1.
What is the InChIKey of 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is LHDWWQJTDRXLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-10-12-17(13-11-15)19-20(16-7-4-3-5-8-16)23-14-6-9-18(23)21(24)22(19)2/h3-14H,1-2H3.
What are the key properties of 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one?
2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 314.39 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylphenyl)-4-phenylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 23248995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).