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

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Related Compounds

5-[7-(2,3-difluorophenyl)imidazo[1,5-b]pyridazin-4-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 160683858
5-(3,3-dimethyl-2-oxo-1H-indol-4-yl)-N-(4-fluorophenyl)-2-methylbenzamide
CID 146306696
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-(1-fluoroethoxy)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-fluoro-3-methylphenyl)-2-methylpyridine-3-carboxamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-phenylpyridine-3-carboxamide)
CID 160695680
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
5-[3-(2-chloro-3-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(3-chloro-2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;2-cyclopropyl-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-dichlorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159983729
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
2,5-dimethyl-N-[4-(thiadiazol-5-yl)phenyl]benzamide
CID 112532788
N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643216
2,6-difluoro-N-(4-methylphenyl)benzamide;ethane
CID 143234800
8-fluoro-N-(4-methylphenyl)quinoline-3-carboxamide
CID 110489691
N-[6-(2,5-dimethylphenyl)-3-pyridinyl]-2,6-difluorobenzamide
CID 70311383
1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144

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).