ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine

C28H35N7 — CID 143460896

IUPACethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=C(C(=N\C)\c1cccc(C)c1)/c1cnc2c(Nc3cccc(N(C)NC)c3)nccn12.CC
InChIInChI=1S/C26H29N7.C2H6/c1-6-22(24(27-3)19-10-7-9-18(2)15-19)23-17-30-26-25(29-13-14-33(23)26)31-20-11-8-12-21(16-20)32(5)28-4;1-2/h6-17,28H,1-5H3,(H,29,31);1-2H3/b22-6-,27-24+;
InChIKeyGXMGXPYLGXDBEA-PZZJIRCISA-N
MW469.64 g/mol
LogP5.90
Rot. Bonds7

About ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine

ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 143460896) has the molecular formula C28H35N7 and a molecular weight of 469.64 g/mol. Its IUPAC name is ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Nameethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID143460896
Molecular FormulaC28H35N7
Molecular Weight469.64 g/mol
Exact Mass469.30
IUPAC Nameethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESC/C=C(C(=N\C)\c1cccc(C)c1)/c1cnc2c(Nc3cccc(N(C)NC)c3)nccn12.CC
InChIInChI=1S/C26H29N7.C2H6/c1-6-22(24(27-3)19-10-7-9-18(2)15-19)23-17-30-26-25(29-13-14-33(23)26)31-20-11-8-12-21(16-20)32(5)28-4;1-2/h6-17,28H,1-5H3,(H,29,31);1-2H3/b22-6-,27-24+;
InChIKeyGXMGXPYLGXDBEA-PZZJIRCISA-N
XLogP5.90
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.64
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-N-[3-[(Z)-1-(3-aminophenyl)-1-ethyliminobut-2-en-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-ethylbenzene-1,3-diamine
CID 143756340
3-[(E)-1-[methyl(methylamino)amino]prop-1-en-2-yl]-N-(2-methyl-4-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460538
2-ethyl-N-propyl-4-[[3-[(Z)-5,5,5-trifluoro-4-methyliminopent-2-en-3-yl]imidazo[1,2-a]pyrazin-8-yl]amino]benzamide
CID 157025404
3-methyl-N-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 58328545
3-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-N-(3-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143464743
3-N-chloro-3-N-methyl-1-N-(3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)benzene-1,3-diamine
CID 143460922
1-N-[3-[1-[(Z,2E)-2-ethylidenepent-3-enyl]pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 143460831
3-N-[3-[(2E,4E,7Z)-4-ethenyl-5-methylnona-2,4,7-trien-2-yl]imidazo[1,2-a]pyrazin-8-yl]-1-N-methylbenzene-1,3-diamine
CID 143464869
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-1-methylpyrazole-3-carbaldehyde;ethane
CID 143461063
[8-(3-methylanilino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-propan-2-ylcarbamic acid
CID 67250361
4-[8-[3-(dimethylamino)anilino]imidazo[1,2-a]pyrazin-3-yl]-2-methyl-1,5-dihydropyrazole-5-carbaldehyde
CID 143460963
1-N-imidazo[1,2-a]pyrazin-8-yl-3-N,3-N-dimethylbenzene-1,3-diamine;N-[3-[(Z)-2-methyl-3-[methyl(methylamino)amino]prop-2-enyl]phenyl]benzamide
CID 143460698

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 143460896) is ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine is C/C=C(C(=N\C)\c1cccc(C)c1)/c1cnc2c(Nc3cccc(N(C)NC)c3)nccn12.CC.
What is the InChIKey of ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GXMGXPYLGXDBEA-PZZJIRCISA-N. The full InChI is InChI=1S/C26H29N7.C2H6/c1-6-22(24(27-3)19-10-7-9-18(2)15-19)23-17-30-26-25(29-13-14-33(23)26)31-20-11-8-12-21(16-20)32(5)28-4;1-2/h6-17,28H,1-5H3,(H,29,31);1-2H3/b22-6-,27-24+;.
What are the key properties of ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine?
ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 469.64 g/mol, XLogP of 5.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-1-methylimino-1-(3-methylphenyl)but-2-en-2-yl]-N-[3-[methyl(methylamino)amino]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 143460896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).