3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile

C24H13FN4 — CID 167011867

IUPAC3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2C#N)ccc1F
InChIInChI=1S/C24H13FN4/c25-20-12-11-18(13-19(20)14-26)22-21(15-27)28-23(16-7-3-1-4-8-16)24(29-22)17-9-5-2-6-10-17/h1-13H
InChIKeyKHQQPFXFQZYLIC-UHFFFAOYSA-N
MW376.39 g/mol
LogP5.36
Rot. Bonds3

About 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile

3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile (PubChem CID 167011867) has the molecular formula C24H13FN4 and a molecular weight of 376.39 g/mol. Its IUPAC name is 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
PubChem CID167011867
Molecular FormulaC24H13FN4
Molecular Weight376.39 g/mol
Exact Mass376.11
IUPAC Name3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2C#N)ccc1F
InChIInChI=1S/C24H13FN4/c25-20-12-11-18(13-19(20)14-26)22-21(15-27)28-23(16-7-3-1-4-8-16)24(29-22)17-9-5-2-6-10-17/h1-13H
InChIKeyKHQQPFXFQZYLIC-UHFFFAOYSA-N
XLogP5.36
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile?
The IUPAC name of 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile (CID 167011867) is 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile.
What is the SMILES notation for 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile?
The canonical SMILES for 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile is N#Cc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)nc2C#N)ccc1F.
What is the InChIKey of 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile?
The InChIKey is KHQQPFXFQZYLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13FN4/c25-20-12-11-18(13-19(20)14-26)22-21(15-27)28-23(16-7-3-1-4-8-16)24(29-22)17-9-5-2-6-10-17/h1-13H.
What are the key properties of 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile?
3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile has a molecular weight of 376.39 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-fluorophenyl)-5,6-diphenylpyrazine-2-carbonitrile is sourced from PubChem (CID 167011867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).