5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

C22H19F2N5 — CID 133290263

IUPAC5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C22H19F2N5/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-11-9-28(10-12-29)21-15-26-20(13-25)14-27-21/h1-8,14-15,22H,9-12H2
InChIKeyXJASENFJBDWINJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.54
Rot. Bonds4

About 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133290263) has the molecular formula C22H19F2N5 and a molecular weight of 391.43 g/mol. Its IUPAC name is 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133290263
Molecular FormulaC22H19F2N5
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C22H19F2N5/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-11-9-28(10-12-29)21-15-26-20(13-25)14-27-21/h1-8,14-15,22H,9-12H2
InChIKeyXJASENFJBDWINJ-UHFFFAOYSA-N
XLogP3.54
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile (CID 133290263) is 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is N#Cc1cnc(N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is XJASENFJBDWINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5/c23-18-5-1-16(2-6-18)22(17-3-7-19(24)8-4-17)29-11-9-28(10-12-29)21-15-26-20(13-25)14-27-21/h1-8,14-15,22H,9-12H2.
What are the key properties of 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 391.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).