2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine

C22H23FN4O2 — CID 6482783

IUPAC2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C22H23FN4O2/c1-28-20-8-3-16(13-21(20)29-2)19-14-24-15-22(25-19)27-11-9-26(10-12-27)18-6-4-17(23)5-7-18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyQYFHMHAJTUTNGM-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.63
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine

2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine (PubChem CID 6482783) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine
PubChem CID6482783
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCOc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC
InChIInChI=1S/C22H23FN4O2/c1-28-20-8-3-16(13-21(20)29-2)19-14-24-15-22(25-19)27-11-9-26(10-12-27)18-6-4-17(23)5-7-18/h3-8,13-15H,9-12H2,1-2H3
InChIKeyQYFHMHAJTUTNGM-UHFFFAOYSA-N
XLogP3.63
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]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-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine (CID 6482783) is 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine is COc1ccc(-c2cncc(N3CCN(c4ccc(F)cc4)CC3)n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine?
The InChIKey is QYFHMHAJTUTNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-28-20-8-3-16(13-21(20)29-2)19-14-24-15-22(25-19)27-11-9-26(10-12-27)18-6-4-17(23)5-7-18/h3-8,13-15H,9-12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine?
2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine has a molecular weight of 394.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).