2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine

C20H18F3N5 — CID 45488971

IUPAC2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C20H18F3N5/c21-20(22,23)16-5-3-4-15(12-16)17-13-24-14-19(26-17)28-10-8-27(9-11-28)18-6-1-2-7-25-18/h1-7,12-14H,8-11H2
InChIKeyZFJZJQWCWUNEFG-UHFFFAOYSA-N
MW385.39 g/mol
LogP3.88
Rot. Bonds3

About 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine

2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine (PubChem CID 45488971) has the molecular formula C20H18F3N5 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine
PubChem CID45488971
Molecular FormulaC20H18F3N5
Molecular Weight385.39 g/mol
Exact Mass385.15
IUPAC Name2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)c1
InChIInChI=1S/C20H18F3N5/c21-20(22,23)16-5-3-4-15(12-16)17-13-24-14-19(26-17)28-10-8-27(9-11-28)18-6-1-2-7-25-18/h1-7,12-14H,8-11H2
InChIKeyZFJZJQWCWUNEFG-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine (CID 45488971) is 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1cccc(-c2cncc(N3CCN(c4ccccn4)CC3)n2)c1.
What is the InChIKey of 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is ZFJZJQWCWUNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5/c21-20(22,23)16-5-3-4-15(12-16)17-13-24-14-19(26-17)28-10-8-27(9-11-28)18-6-1-2-7-25-18/h1-7,12-14H,8-11H2.
What are the key properties of 2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine?
2-(4-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]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-pyridin-2-ylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 45488971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).