5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C15H14F2N4O2 — CID 122048866

IUPAC5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3cc(F)ccc3F)CC2)cn1
InChIInChI=1S/C15H14F2N4O2/c16-10-1-2-11(17)13(7-10)20-3-5-21(6-4-20)14-9-18-12(8-19-14)15(22)23/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeySHJTVJSQQRHNQM-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.78
Rot. Bonds3

About 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122048866) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122048866
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3cc(F)ccc3F)CC2)cn1
InChIInChI=1S/C15H14F2N4O2/c16-10-1-2-11(17)13(7-10)20-3-5-21(6-4-20)14-9-18-12(8-19-14)15(22)23/h1-2,7-9H,3-6H2,(H,22,23)
InChIKeySHJTVJSQQRHNQM-UHFFFAOYSA-N
XLogP1.78
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047657
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057491
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053202
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
2-amino-1-[4-(2,5-difluorophenyl)piperazin-1-yl]ethanone
CID 82482185
1-(5-chloro-2-pyridinyl)-4-(2,4-difluorophenyl)piperazine
CID 163356497
5-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 109275707
1-(2,5-difluorophenyl)piperidine
CID 22638080
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122048866) is 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCN(c3cc(F)ccc3F)CC2)cn1.
What is the InChIKey of 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is SHJTVJSQQRHNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-10-1-2-11(17)13(7-10)20-3-5-21(6-4-20)14-9-18-12(8-19-14)15(22)23/h1-2,7-9H,3-6H2,(H,22,23).
What are the key properties of 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122048866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).