5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid

C14H14ClN5O2 — CID 122053202

IUPAC5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3ncccc3Cl)CC2)cn1
InChIInChI=1S/C14H14ClN5O2/c15-10-2-1-3-16-13(10)20-6-4-19(5-7-20)12-9-17-11(8-18-12)14(21)22/h1-3,8-9H,4-7H2,(H,21,22)
InChIKeyABQRGUFLBBCMDQ-UHFFFAOYSA-N
MW319.75 g/mol
LogP1.55
Rot. Bonds3

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

5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053202) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053202
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCN(c3ncccc3Cl)CC2)cn1
InChIInChI=1S/C14H14ClN5O2/c15-10-2-1-3-16-13(10)20-6-4-19(5-7-20)12-9-17-11(8-18-12)14(21)22/h1-3,8-9H,4-7H2,(H,21,22)
InChIKeyABQRGUFLBBCMDQ-UHFFFAOYSA-N
XLogP1.55
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053000
cis-(1R,3S)-3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065880
N-(2,6-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274621
[5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273565
5-[4-(6-cyano-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054893
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]butanoic acid
CID 119994229
[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 109273545
1-(3-chloro-2-pyridinyl)imidazole-2-carboxylic acid
CID 130698719
5-[4-(hydroxymethyl)-4-phenylpiperidin-1-yl]pyrazine-2-carboxylic acid
CID 122057709

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122053202) is 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCN(c3ncccc3Cl)CC2)cn1.
What is the InChIKey of 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is ABQRGUFLBBCMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O2/c15-10-2-1-3-16-13(10)20-6-4-19(5-7-20)12-9-17-11(8-18-12)14(21)22/h1-3,8-9H,4-7H2,(H,21,22).
What are the key properties of 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 319.75 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).