2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine

C36H32N6 — CID 54468117

IUPAC2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine
SMILESCc1cccnc1C=Cc1nc(C=Cc2ncccc2C)c(C=Cc2ncccc2C)nc1C=Cc1ncccc1C
InChIInChI=1S/C36H32N6/c1-25-9-5-21-37-29(25)13-17-33-34(18-14-30-26(2)10-6-22-38-30)42-36(20-16-32-28(4)12-8-24-40-32)35(41-33)19-15-31-27(3)11-7-23-39-31/h5-24H,1-4H3
InChIKeyXGKBGYQCUDRUCI-UHFFFAOYSA-N
MW548.69 g/mol
LogP7.97
Rot. Bonds8

About 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine

2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine (PubChem CID 54468117) has the molecular formula C36H32N6 and a molecular weight of 548.69 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine
PubChem CID54468117
Molecular FormulaC36H32N6
Molecular Weight548.69 g/mol
Exact Mass548.27
IUPAC Name2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine
SMILESCc1cccnc1C=Cc1nc(C=Cc2ncccc2C)c(C=Cc2ncccc2C)nc1C=Cc1ncccc1C
InChIInChI=1S/C36H32N6/c1-25-9-5-21-37-29(25)13-17-33-34(18-14-30-26(2)10-6-22-38-30)42-36(20-16-32-28(4)12-8-24-40-32)35(41-33)19-15-31-27(3)11-7-23-39-31/h5-24H,1-4H3
InChIKeyXGKBGYQCUDRUCI-UHFFFAOYSA-N
XLogP7.97
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine (CID 54468117) is 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine is Cc1cccnc1C=Cc1nc(C=Cc2ncccc2C)c(C=Cc2ncccc2C)nc1C=Cc1ncccc1C.
What is the InChIKey of 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine?
The InChIKey is XGKBGYQCUDRUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6/c1-25-9-5-21-37-29(25)13-17-33-34(18-14-30-26(2)10-6-22-38-30)42-36(20-16-32-28(4)12-8-24-40-32)35(41-33)19-15-31-27(3)11-7-23-39-31/h5-24H,1-4H3.
What are the key properties of 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine?
2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine has a molecular weight of 548.69 g/mol, XLogP of 7.97, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[2-(3-methyl-2-pyridinyl)ethenyl]pyrazine is sourced from PubChem (CID 54468117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).