2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine

C30H36N6 — CID 71459256

IUPAC2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine
SMILESCN1CCN(c2ccc(/C=C/c3cnc(/C=C/c4ccc(N5CCN(C)CC5)cc4)cn3)cc2)CC1
InChIInChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+
InChIKeyAVZZWGWWTATDJE-LQIBPGRFSA-N
MW480.66 g/mol
LogP4.32
Rot. Bonds6

About 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine

2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine (PubChem CID 71459256) has the molecular formula C30H36N6 and a molecular weight of 480.66 g/mol. Its IUPAC name is 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine.

Molecular Properties

Compound Name2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine
PubChem CID71459256
Molecular FormulaC30H36N6
Molecular Weight480.66 g/mol
Exact Mass480.30
IUPAC Name2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine
SMILESCN1CCN(c2ccc(/C=C/c3cnc(/C=C/c4ccc(N5CCN(C)CC5)cc4)cn3)cc2)CC1
InChIInChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+
InChIKeyAVZZWGWWTATDJE-LQIBPGRFSA-N
XLogP4.32
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.66
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine?
The IUPAC name of 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine (CID 71459256) is 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine.
What is the SMILES notation for 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine?
The canonical SMILES for 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine is CN1CCN(c2ccc(/C=C/c3cnc(/C=C/c4ccc(N5CCN(C)CC5)cc4)cn3)cc2)CC1.
What is the InChIKey of 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine?
The InChIKey is AVZZWGWWTATDJE-LQIBPGRFSA-N. The full InChI is InChI=1S/C30H36N6/c1-33-15-19-35(20-16-33)29-11-5-25(6-12-29)3-9-27-23-32-28(24-31-27)10-4-26-7-13-30(14-8-26)36-21-17-34(2)18-22-36/h3-14,23-24H,15-22H2,1-2H3/b9-3+,10-4+.
What are the key properties of 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine?
2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine has a molecular weight of 480.66 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-[4-(4-methylpiperazin-1-yl)phenyl]ethenyl]pyrazine is sourced from PubChem (CID 71459256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).