2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine

C22H23FN4O — CID 6482774

IUPAC2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C22H23FN4O/c1-2-28-18-9-7-17(8-10-18)20-15-24-16-22(25-20)27-13-11-26(12-14-27)21-6-4-3-5-19(21)23/h3-10,15-16H,2,11-14H2,1H3
InChIKeyUNFHMBASXGHFFB-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.01
Rot. Bonds5

About 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine

2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine (PubChem CID 6482774) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
PubChem CID6482774
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine
SMILESCCOc1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1
InChIInChI=1S/C22H23FN4O/c1-2-28-18-9-7-17(8-10-18)20-15-24-16-22(25-20)27-13-11-26(12-14-27)21-6-4-3-5-19(21)23/h3-10,15-16H,2,11-14H2,1H3
InChIKeyUNFHMBASXGHFFB-UHFFFAOYSA-N
XLogP4.01
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The IUPAC name of 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine (CID 6482774) is 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The canonical SMILES for 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine is CCOc1ccc(-c2cncc(N3CCN(c4ccccc4F)CC3)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
The InChIKey is UNFHMBASXGHFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-2-28-18-9-7-17(8-10-18)20-15-24-16-22(25-20)27-13-11-26(12-14-27)21-6-4-3-5-19(21)23/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine?
2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine has a molecular weight of 378.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-6-[4-(2-fluorophenyl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 6482774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).