2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

C22H21F3N4O — CID 6483170

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1cccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1
InChIInChI=1S/C22H21F3N4O/c1-30-19-4-2-3-18(13-19)28-9-11-29(12-10-28)21-15-26-14-20(27-21)16-5-7-17(8-6-16)22(23,24)25/h2-8,13-15H,9-12H2,1H3
InChIKeySNDYFFLLFDLDOK-UHFFFAOYSA-N
MW414.43 g/mol
LogP4.50
Rot. Bonds4

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 6483170) has the molecular formula C22H21F3N4O and a molecular weight of 414.43 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID6483170
Molecular FormulaC22H21F3N4O
Molecular Weight414.43 g/mol
Exact Mass414.17
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine
SMILESCOc1cccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1
InChIInChI=1S/C22H21F3N4O/c1-30-19-4-2-3-18(13-19)28-9-11-29(12-10-28)21-15-26-14-20(27-21)16-5-7-17(8-6-16)22(23,24)25/h2-8,13-15H,9-12H2,1H3
InChIKeySNDYFFLLFDLDOK-UHFFFAOYSA-N
XLogP4.50
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]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-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine (CID 6483170) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine is COc1cccc(N2CCN(c3cncc(-c4ccc(C(F)(F)F)cc4)n3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is SNDYFFLLFDLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O/c1-30-19-4-2-3-18(13-19)28-9-11-29(12-10-28)21-15-26-14-20(27-21)16-5-7-17(8-6-16)22(23,24)25/h2-8,13-15H,9-12H2,1H3.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 414.43 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 6483170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).