2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine

C24H19FN2 — CID 70831826

IUPAC2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine
SMILESCc1ccccc1-c1nc(C)c(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H19FN2/c1-16-8-6-7-11-21(16)24-23(18-9-4-3-5-10-18)27-22(17(2)26-24)19-12-14-20(25)15-13-19/h3-15H,1-2H3
InChIKeyDSSUJLKNCWNITB-UHFFFAOYSA-N
MW354.43 g/mol
LogP6.23
Rot. Bonds3

About 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine

2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine (PubChem CID 70831826) has the molecular formula C24H19FN2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine
PubChem CID70831826
Molecular FormulaC24H19FN2
Molecular Weight354.43 g/mol
Exact Mass354.15
IUPAC Name2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine
SMILESCc1ccccc1-c1nc(C)c(-c2ccc(F)cc2)nc1-c1ccccc1
InChIInChI=1S/C24H19FN2/c1-16-8-6-7-11-21(16)24-23(18-9-4-3-5-10-18)27-22(17(2)26-24)19-12-14-20(25)15-13-19/h3-15H,1-2H3
InChIKeyDSSUJLKNCWNITB-UHFFFAOYSA-N
XLogP6.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine?
The IUPAC name of 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine (CID 70831826) is 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine?
The canonical SMILES for 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine is Cc1ccccc1-c1nc(C)c(-c2ccc(F)cc2)nc1-c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine?
The InChIKey is DSSUJLKNCWNITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2/c1-16-8-6-7-11-21(16)24-23(18-9-4-3-5-10-18)27-22(17(2)26-24)19-12-14-20(25)15-13-19/h3-15H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine?
2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine has a molecular weight of 354.43 g/mol, XLogP of 6.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-methyl-5-(2-methylphenyl)-6-phenylpyrazine is sourced from PubChem (CID 70831826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).