2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine

C25H24N4O — CID 6482733

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C25H24N4O/c1-30-24-9-5-4-8-23(24)28-12-14-29(15-13-28)25-18-26-17-22(27-25)21-11-10-19-6-2-3-7-20(19)16-21/h2-11,16-18H,12-15H2,1H3
InChIKeyJTBJELCGGROZKW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.63
Rot. Bonds4

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine (PubChem CID 6482733) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
PubChem CID6482733
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
SMILESCOc1ccccc1N1CCN(c2cncc(-c3ccc4ccccc4c3)n2)CC1
InChIInChI=1S/C25H24N4O/c1-30-24-9-5-4-8-23(24)28-12-14-29(15-13-28)25-18-26-17-22(27-25)21-11-10-19-6-2-3-7-20(19)16-21/h2-11,16-18H,12-15H2,1H3
InChIKeyJTBJELCGGROZKW-UHFFFAOYSA-N
XLogP4.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine 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-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine (CID 6482733) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine is COc1ccccc1N1CCN(c2cncc(-c3ccc4ccccc4c3)n2)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
The InChIKey is JTBJELCGGROZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-30-24-9-5-4-8-23(24)28-12-14-29(15-13-28)25-18-26-17-22(27-25)21-11-10-19-6-2-3-7-20(19)16-21/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine has a molecular weight of 396.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine is sourced from PubChem (CID 6482733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).