5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide

C28H23FN4O — CID 159956422

IUPAC5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3nccn4c(-c5cccc(F)c5C)ncc34)ccc2C)cc1
InChIInChI=1S/C28H23FN4O/c1-17-7-11-21(12-8-17)32-28(34)23-15-20(10-9-18(23)2)26-25-16-31-27(33(25)14-13-30-26)22-5-4-6-24(29)19(22)3/h4-16H,1-3H3,(H,32,34)
InChIKeySJENLROJHCRMOB-UHFFFAOYSA-N
MW450.52 g/mol
LogP6.38
Rot. Bonds4

About 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide

5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide (PubChem CID 159956422) has the molecular formula C28H23FN4O and a molecular weight of 450.52 g/mol. Its IUPAC name is 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
PubChem CID159956422
Molecular FormulaC28H23FN4O
Molecular Weight450.52 g/mol
Exact Mass450.19
IUPAC Name5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3nccn4c(-c5cccc(F)c5C)ncc34)ccc2C)cc1
InChIInChI=1S/C28H23FN4O/c1-17-7-11-21(12-8-17)32-28(34)23-15-20(10-9-18(23)2)26-25-16-31-27(33(25)14-13-30-26)22-5-4-6-24(29)19(22)3/h4-16H,1-3H3,(H,32,34)
InChIKeySJENLROJHCRMOB-UHFFFAOYSA-N
XLogP6.38
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide 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 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide (CID 159956422) is 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3nccn4c(-c5cccc(F)c5C)ncc34)ccc2C)cc1.
What is the InChIKey of 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is SJENLROJHCRMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O/c1-17-7-11-21(12-8-17)32-28(34)23-15-20(10-9-18(23)2)26-25-16-31-27(33(25)14-13-30-26)22-5-4-6-24(29)19(22)3/h4-16H,1-3H3,(H,32,34).
What are the key properties of 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide?
5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 450.52 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoro-2-methylphenyl)imidazo[1,5-a]pyrazin-8-yl]-2-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 159956422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).