2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine

C22H17N3O2 — CID 45488870

IUPAC2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine
SMILESCOc1cncc(-c2cncc(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H17N3O2/c1-26-20-11-17(12-23-13-20)22-15-24-14-21(25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-15H,1H3
InChIKeyVEDWCIAUGYIJLS-UHFFFAOYSA-N
MW355.40 g/mol
LogP5.01
Rot. Bonds5

About 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine

2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine (PubChem CID 45488870) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine
PubChem CID45488870
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine
SMILESCOc1cncc(-c2cncc(-c3ccc(Oc4ccccc4)cc3)n2)c1
InChIInChI=1S/C22H17N3O2/c1-26-20-11-17(12-23-13-20)22-15-24-14-21(25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-15H,1H3
InChIKeyVEDWCIAUGYIJLS-UHFFFAOYSA-N
XLogP5.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine (CID 45488870) is 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine is COc1cncc(-c2cncc(-c3ccc(Oc4ccccc4)cc3)n2)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine?
The InChIKey is VEDWCIAUGYIJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-26-20-11-17(12-23-13-20)22-15-24-14-21(25-22)16-7-9-19(10-8-16)27-18-5-3-2-4-6-18/h2-15H,1H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine?
2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine has a molecular weight of 355.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-6-(4-phenoxyphenyl)pyrazine is sourced from PubChem (CID 45488870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).