7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C41H46FN7 — CID 159055377

IUPAC7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCN(c1ccccc1)c1ncc2n1CCN(Cc1ccccc1)C2.[2H]CF.c1ccc(Cc2ncc3n2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C20H22N4.C20H21N3.CH3F/c1-22(18-10-6-3-7-11-18)20-21-14-19-16-23(12-13-24(19)20)15-17-8-4-2-5-9-17;1-3-7-17(8-4-1)13-20-21-14-19-16-22(11-12-23(19)20)15-18-9-5-2-6-10-18;1-2/h2-11,14H,12-13,15-16H2,1H3;1-10,14H,11-13,15-16H2;1H3/i;;1D
InChIKeyJXUCOXOJYJGOEP-PRQZKWGPSA-N
MW656.87 g/mol
LogP7.74
Rot. Bonds8

About 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 159055377) has the molecular formula C41H46FN7 and a molecular weight of 656.87 g/mol. Its IUPAC name is 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID159055377
Molecular FormulaC41H46FN7
Molecular Weight656.87 g/mol
Exact Mass656.39
IUPAC Name7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCN(c1ccccc1)c1ncc2n1CCN(Cc1ccccc1)C2.[2H]CF.c1ccc(Cc2ncc3n2CCN(Cc2ccccc2)C3)cc1
InChIInChI=1S/C20H22N4.C20H21N3.CH3F/c1-22(18-10-6-3-7-11-18)20-21-14-19-16-23(12-13-24(19)20)15-17-8-4-2-5-9-17;1-3-7-17(8-4-1)13-20-21-14-19-16-22(11-12-23(19)20)15-18-9-5-2-6-10-18;1-2/h2-11,14H,12-13,15-16H2,1H3;1-10,14H,11-13,15-16H2;1H3/i;;1D
InChIKeyJXUCOXOJYJGOEP-PRQZKWGPSA-N
XLogP7.74
TPSA45.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.87
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

1-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-N,N-dimethylmethanamine
CID 67242840
N-[4-[(3-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)methyl]phenyl]acetamide
CID 160873477
N-(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-N-phenylpropanamide
CID 118173680
3-benzyl-7-(cyclohexylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118173675
7-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;hypochlorous acid
CID 139366893
[(7-benzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)-cyclopropylmethyl] acetate
CID 22335359
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[5-[[4-(N-methylanilino)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 90648479
3-benzyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117148816
2-(4-benzylpiperazin-1-yl)-N-methyl-N-phenylpyrimidine-5-carboxamide
CID 109261095
5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 67958777
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 159055377) is 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is CN(c1ccccc1)c1ncc2n1CCN(Cc1ccccc1)C2.[2H]CF.c1ccc(Cc2ncc3n2CCN(Cc2ccccc2)C3)cc1.
What is the InChIKey of 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is JXUCOXOJYJGOEP-PRQZKWGPSA-N. The full InChI is InChI=1S/C20H22N4.C20H21N3.CH3F/c1-22(18-10-6-3-7-11-18)20-21-14-19-16-23(12-13-24(19)20)15-17-8-4-2-5-9-17;1-3-7-17(8-4-1)13-20-21-14-19-16-22(11-12-23(19)20)15-18-9-5-2-6-10-18;1-2/h2-11,14H,12-13,15-16H2,1H3;1-10,14H,11-13,15-16H2;1H3/i;;1D.
What are the key properties of 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 656.87 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-N-methyl-N-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-amine;deuterio(fluoro)methane;3,7-dibenzyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 159055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).