[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

C20H18FN5O — CID 129053899

IUPAC[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2cncc(-c3cncc(F)c3)n2)cc1)N1CCNCC1
InChIInChI=1S/C20H18FN5O/c21-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(27)26-7-5-22-6-8-26/h1-4,9-13,22H,5-8H2
InChIKeyJBVJYSGPWJAWIN-UHFFFAOYSA-N
MW363.40 g/mol
LogP2.39
Rot. Bonds3

About [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone

[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (PubChem CID 129053899) has the molecular formula C20H18FN5O and a molecular weight of 363.40 g/mol. Its IUPAC name is [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
PubChem CID129053899
Molecular FormulaC20H18FN5O
Molecular Weight363.40 g/mol
Exact Mass363.15
IUPAC Name[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2cncc(-c3cncc(F)c3)n2)cc1)N1CCNCC1
InChIInChI=1S/C20H18FN5O/c21-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(27)26-7-5-22-6-8-26/h1-4,9-13,22H,5-8H2
InChIKeyJBVJYSGPWJAWIN-UHFFFAOYSA-N
XLogP2.39
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone (CID 129053899) is [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2cncc(-c3cncc(F)c3)n2)cc1)N1CCNCC1.
What is the InChIKey of [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is JBVJYSGPWJAWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O/c21-17-9-16(10-23-11-17)19-13-24-12-18(25-19)14-1-3-15(4-2-14)20(27)26-7-5-22-6-8-26/h1-4,9-13,22H,5-8H2.
What are the key properties of [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone?
[4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 363.40 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(5-fluoro-3-pyridinyl)pyrazin-2-yl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 129053899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).