1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone

C19H22FN5O2 — CID 109279048

IUPAC1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(NCCc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19(27)17-12-23-18(13-22-17)21-7-6-15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,23)
InChIKeyZCXVOIMQEOLYLL-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.57
Rot. Bonds5

About 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109279048) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109279048
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(NCCc3ccccc3F)cn2)CC1
InChIInChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19(27)17-12-23-18(13-22-17)21-7-6-15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,23)
InChIKeyZCXVOIMQEOLYLL-UHFFFAOYSA-N
XLogP1.57
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-piperidin-1-ylmethanone
CID 109274295
[5-[2-(2-fluorophenyl)ethylamino]pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275035
1-[4-[2-[2-(2-fluorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254624
(4-ethylpiperazin-1-yl)-[5-[2-(2-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109278444
N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(3-methylbutylamino)pyrazin-2-yl]methanone
CID 109286479
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-fluorophenyl)methylamino]pyrazin-2-yl]methanone
CID 109281425
N-(4-acetylphenyl)-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284391
azepan-1-yl-[5-(2-phenylethylamino)pyrazin-2-yl]methanone
CID 109283935
[2-[2-(2-fluorophenyl)ethylamino]pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 109253672
5-(4-acetylpiperazin-1-yl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109187365
5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284363

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone (CID 109279048) is 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc(NCCc3ccccc3F)cn2)CC1.
What is the InChIKey of 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is ZCXVOIMQEOLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-14(26)24-8-10-25(11-9-24)19(27)17-12-23-18(13-22-17)21-7-6-15-4-2-3-5-16(15)20/h2-5,12-13H,6-11H2,1H3,(H,21,23).
What are the key properties of 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 371.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109279048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).