5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C16H14FN5O2 — CID 122047657

IUPAC5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESN#Cc1c(F)cccc1N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H14FN5O2/c17-12-2-1-3-14(11(12)8-18)21-4-6-22(7-5-21)15-10-19-13(9-20-15)16(23)24/h1-3,9-10H,4-7H2,(H,23,24)
InChIKeyRPHUIWGHISRHON-UHFFFAOYSA-N
MW327.32 g/mol
LogP1.51
Rot. Bonds3

About 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122047657) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122047657
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC Name5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESN#Cc1c(F)cccc1N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H14FN5O2/c17-12-2-1-3-14(11(12)8-18)21-4-6-22(7-5-21)15-10-19-13(9-20-15)16(23)24/h1-3,9-10H,4-7H2,(H,23,24)
InChIKeyRPHUIWGHISRHON-UHFFFAOYSA-N
XLogP1.51
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054893
5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122048866
1-(2-cyano-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512608
5-(4-cyano-1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylic acid
CID 166240244
tert-butyl 4-(2-cyano-3-fluorophenyl)piperazine-1-carboxylate
CID 51111672
2-fluoro-6-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]benzonitrile
CID 38620442
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
2-fluoro-6-[4-(4-nitrophenyl)piperazin-1-yl]benzonitrile
CID 33482416
2-fluoro-6-[4-(3-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 38618980
2-fluoro-6-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 166605489
3-[[4-(2-cyano-3-fluorophenyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122019322
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile
CID 9025341

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122047657) is 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid is N#Cc1c(F)cccc1N1CCN(c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is RPHUIWGHISRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2/c17-12-2-1-3-14(11(12)8-18)21-4-6-22(7-5-21)15-10-19-13(9-20-15)16(23)24/h1-3,9-10H,4-7H2,(H,23,24).
What are the key properties of 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 327.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).