7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C28H26N4O2 — CID 66932336

IUPAC7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)c1ccccc1)CC2)c1ccccc1
InChIInChI=1S/C28H26N4O2/c1-20(21-11-5-2-6-12-21)29-27(33)25-24-19-31(28(34)23-15-9-4-10-16-23)17-18-32(24)26(30-25)22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3,(H,29,33)
InChIKeyJQLSJYAPSDXCDD-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.70
Rot. Bonds5

About 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66932336) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound Name7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66932336
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCC(NC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)c1ccccc1)CC2)c1ccccc1
InChIInChI=1S/C28H26N4O2/c1-20(21-11-5-2-6-12-21)29-27(33)25-24-19-31(28(34)23-15-9-4-10-16-23)17-18-32(24)26(30-25)22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3,(H,29,33)
InChIKeyJQLSJYAPSDXCDD-UHFFFAOYSA-N
XLogP4.70
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-1-(1-phenylethylcarbamoyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 66932026
7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
CID 66660313
7-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931675
CID 157350938
CID 157350938
3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076293
7-benzoyl-3-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbaldehyde
CID 115267854
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931916
N-(1-cyclohexylethyl)-7-ethylsulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931733
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931901
3-(4-ethylpiperazine-1-carbonyl)-N-(1-phenylethyl)benzamide
CID 109053638
3-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
CID 96520038
methyl (2S)-2-[(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl)amino]propanoate
CID 87040351

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66932336) is 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CC(NC(=O)c1nc(-c2ccccc2)n2c1CN(C(=O)c1ccccc1)CC2)c1ccccc1.
What is the InChIKey of 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is JQLSJYAPSDXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-20(21-11-5-2-6-12-21)29-27(33)25-24-19-31(28(34)23-15-9-4-10-16-23)17-18-32(24)26(30-25)22-13-7-3-8-14-22/h2-16,20H,17-19H2,1H3,(H,29,33).
What are the key properties of 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66932336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).