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

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 Name: 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
• Molecular Formula: C28H35N7
• Molecular Weight: 469.64 g/mol
• Exact Mass: 469.30
• IUPAC Name: 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
• SMILES: C/C=C(C(=N\C)\c1cccc(C)c1)/c1cnc2c(Nc3cccc(N(C)NC)c3)nccn12.CC
• InChI: 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+
• InChIKey: GXMGXPYLGXDBEA-PZZJIRCISA-N
• XLogP: 5.90
• TPSA: 69.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.64
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

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).