2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine

C23H18N2O3 — CID 171920307

IUPAC2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine
SMILESCOc1ccc(C#Cc2cncc(C#Cc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H18N2O3/c1-26-21-11-6-17(7-12-21)4-9-19-15-24-16-20(25-19)10-5-18-8-13-22(27-2)23(14-18)28-3/h6-8,11-16H,1-3H3
InChIKeyBPWRJFLKSKGDGF-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.30
Rot. Bonds3

About 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine

2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine (PubChem CID 171920307) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine
PubChem CID171920307
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine
SMILESCOc1ccc(C#Cc2cncc(C#Cc3ccc(OC)c(OC)c3)n2)cc1
InChIInChI=1S/C23H18N2O3/c1-26-21-11-6-17(7-12-21)4-9-19-15-24-16-20(25-19)10-5-18-8-13-22(27-2)23(14-18)28-3/h6-8,11-16H,1-3H3
InChIKeyBPWRJFLKSKGDGF-UHFFFAOYSA-N
XLogP3.30
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3,4-dimethoxyphenyl)ethynyl]-7-[2-(4-methoxyphenyl)ethynyl]-2,3-dihydro-1,4-benzodioxine
CID 170457038
1,2-dimethoxy-4-[2-(4-methoxyphenyl)ethynyl]-5-methylsulfanylbenzene
CID 102261966
2-[2-[4-[2-(2,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,4-dimethoxybenzene
CID 102082039
4-[2-(4-methoxyphenyl)ethynyl]pyridine
CID 4595253
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
2-methoxy-5-[2-(4-methoxyphenyl)ethynyl]cyclohepta-2,4,6-trien-1-one
CID 102256695
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
CID 11160666
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
5-[2-(3,4-dimethoxyphenyl)ethynyl]benzene-1,3-diol
CID 171920433
methyl 4-[2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]benzoate
CID 170457022
bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
CID 101413036

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine (CID 171920307) is 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine is COc1ccc(C#Cc2cncc(C#Cc3ccc(OC)c(OC)c3)n2)cc1.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine?
The InChIKey is BPWRJFLKSKGDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-26-21-11-6-17(7-12-21)4-9-19-15-24-16-20(25-19)10-5-18-8-13-22(27-2)23(14-18)28-3/h6-8,11-16H,1-3H3.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine?
2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine has a molecular weight of 370.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine is sourced from PubChem (CID 171920307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).