(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

C15H14F3N5O — CID 146124118

IUPAC(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)13-11(2-1-3-21-13)14(24)23-8-6-22(7-9-23)12-10-19-4-5-20-12/h1-5,10H,6-9H2
InChIKeyXMWWANHAOZCTPG-UHFFFAOYSA-N
MW337.31 g/mol
LogP1.85
Rot. Bonds2

About (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 146124118) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID146124118
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1cccnc1C(F)(F)F)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H14F3N5O/c16-15(17,18)13-11(2-1-3-21-13)14(24)23-8-6-22(7-9-23)12-10-19-4-5-20-12/h1-5,10H,6-9H2
InChIKeyXMWWANHAOZCTPG-UHFFFAOYSA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56814513
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(2,3-dichlorophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023174
2-[2-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenoxy]acetamide
CID 32647513
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-(4-pyrazin-2-ylpiperazin-1-yl)octan-1-one
CID 13298553
[(3aS,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 126818111
N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-pyrazin-2-ylpiperazine-1-carboxamide
CID 5102783
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 32646532

Frequently Asked Questions

What is the IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone (CID 146124118) is (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1cccnc1C(F)(F)F)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is XMWWANHAOZCTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c16-15(17,18)13-11(2-1-3-21-13)14(24)23-8-6-22(7-9-23)12-10-19-4-5-20-12/h1-5,10H,6-9H2.
What are the key properties of (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone?
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 337.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 146124118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).