2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine

C20H18F3N5 — CID 177153206

IUPAC2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C20H18F3N5/c21-20(22,23)18-7-6-15(12-25-18)17-13-24-14-19(26-17)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2
InChIKeyCYKDEUXQBBTAAY-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine

2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine (PubChem CID 177153206) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
PubChem CID177153206
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C20H18F3N5/c21-20(22,23)18-7-6-15(12-25-18)17-13-24-14-19(26-17)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2
InChIKeyCYKDEUXQBBTAAY-UHFFFAOYSA-N
XLogP3.88
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrazin-2-yl]aniline
CID 6482859
4-[4-[6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]piperazin-1-yl]benzoic acid
CID 177153155
2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
CID 6482907
2-(4-phenylpiperazin-1-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 58228272
1-phenyl-4-[2-(trifluoromethyl)-4-pyridinyl]piperazine
CID 175649905
2-(4-propan-2-ylsulfonylphenyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine
CID 174872147
2-phenyl-6-piperazin-1-ylpyrazine;hydrochloride
CID 90674681
3-oxo-2-phenyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylic acid
CID 138634201
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
CID 6482911
2-[4-[6-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]piperazin-1-yl]-2-phenylacetic acid
CID 177153173
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
CID 6482931
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215419

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine (CID 177153206) is 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine is FC(F)(F)c1ccc(-c2cncc(N3CCN(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
The InChIKey is CYKDEUXQBBTAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c21-20(22,23)18-7-6-15(12-25-18)17-13-24-14-19(26-17)28-10-8-27(9-11-28)16-4-2-1-3-5-16/h1-7,12-14H,8-11H2.
What are the key properties of 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine?
2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine has a molecular weight of 385.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrazine is sourced from PubChem (CID 177153206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).