2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine

C20H20FN5 — CID 21186148

IUPAC2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4cnccn4)CC3)c2)cc1
InChIInChI=1S/C20H20FN5/c21-19-3-1-17(2-4-19)18-11-16(12-23-13-18)15-25-7-9-26(10-8-25)20-14-22-5-6-24-20/h1-6,11-14H,7-10,15H2
InChIKeyWVEQYQHSBOYABA-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.00
Rot. Bonds4

About 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine

2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine (PubChem CID 21186148) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine
PubChem CID21186148
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2cncc(CN3CCN(c4cnccn4)CC3)c2)cc1
InChIInChI=1S/C20H20FN5/c21-19-3-1-17(2-4-19)18-11-16(12-23-13-18)15-25-7-9-26(10-8-25)20-14-22-5-6-24-20/h1-6,11-14H,7-10,15H2
InChIKeyWVEQYQHSBOYABA-UHFFFAOYSA-N
XLogP3.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine (CID 21186148) is 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine is Fc1ccc(-c2cncc(CN3CCN(c4cnccn4)CC3)c2)cc1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine?
The InChIKey is WVEQYQHSBOYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5/c21-19-3-1-17(2-4-19)18-11-16(12-23-13-18)15-25-7-9-26(10-8-25)20-14-22-5-6-24-20/h1-6,11-14H,7-10,15H2.
What are the key properties of 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine?
2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine has a molecular weight of 349.41 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazin-1-yl]pyrazine is sourced from PubChem (CID 21186148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).