2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

C19H17ClFN5 — CID 6482682

IUPAC2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESFc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1Cl
InChIInChI=1S/C19H17ClFN5/c20-16-11-14(1-2-17(16)21)18-12-23-13-19(24-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2
InChIKeyPZSPSMJSXQYPGO-UHFFFAOYSA-N
MW369.83 g/mol
LogP3.66
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine

2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (PubChem CID 6482682) has the molecular formula C19H17ClFN5 and a molecular weight of 369.83 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
PubChem CID6482682
Molecular FormulaC19H17ClFN5
Molecular Weight369.83 g/mol
Exact Mass369.12
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine
SMILESFc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1Cl
InChIInChI=1S/C19H17ClFN5/c20-16-11-14(1-2-17(16)21)18-12-23-13-19(24-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2
InChIKeyPZSPSMJSXQYPGO-UHFFFAOYSA-N
XLogP3.66
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.83
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine (CID 6482682) is 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is Fc1ccc(-c2cncc(N3CCN(c4ccncc4)CC3)n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
The InChIKey is PZSPSMJSXQYPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN5/c20-16-11-14(1-2-17(16)21)18-12-23-13-19(24-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine?
2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine has a molecular weight of 369.83 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 6482682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).