3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid

C13H16N6O2 — CID 163221724

IUPAC3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)nc1C(=O)O
InChIInChI=1S/C13H16N6O2/c14-12-11(13(20)21)18-10(6-16-12)8-5-17-19(7-8)9-1-3-15-4-2-9/h5-7,9,15H,1-4H2,(H2,14,16)(H,20,21)
InChIKeyXIXJJAKOLZQMHE-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.55
Rot. Bonds3

About 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid

3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid (PubChem CID 163221724) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
PubChem CID163221724
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)nc1C(=O)O
InChIInChI=1S/C13H16N6O2/c14-12-11(13(20)21)18-10(6-16-12)8-5-17-19(7-8)9-1-3-15-4-2-9/h5-7,9,15H,1-4H2,(H2,14,16)(H,20,21)
InChIKeyXIXJJAKOLZQMHE-UHFFFAOYSA-N
XLogP0.55
TPSA118.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-[1-[1-[3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid;hydrochloride
CID 163221732
3-amino-6-[1-[1-(6-aminohexyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylic acid
CID 163221712
[(1R)-2-[(4-fluorophenyl)methylamino]-2-oxo-1-phenylethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate
CID 163222008
3-amino-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxamide
CID 24830399
[(1R)-2-(3-chloroanilino)-2-oxo-1-phenylethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate
CID 163221911
[(1R)-2-(3-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate;hydrochloride
CID 163222018
[(1R)-2-[3-(dimethylamino)anilino]-2-oxo-1-phenylethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate
CID 163221840
[(1R)-1-(2-chlorophenyl)-2-(4-fluoroanilino)-2-oxoethyl] 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylate;hydrochloride
CID 163284493
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
CID 163221754
methyl 2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxylate
CID 67388698
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-(3-piperazin-1-ylpropyl)piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate
CID 163221969
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 3-amino-6-[1-[1-[[1-(2-piperidin-4-yloxyethyl)piperidin-4-yl]methyl]piperidin-4-yl]pyrazol-4-yl]pyrazine-2-carboxylate;hydrochloride
CID 163284497

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid (CID 163221724) is 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid is Nc1ncc(-c2cnn(C3CCNCC3)c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid?
The InChIKey is XIXJJAKOLZQMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c14-12-11(13(20)21)18-10(6-16-12)8-5-17-19(7-8)9-1-3-15-4-2-9/h5-7,9,15H,1-4H2,(H2,14,16)(H,20,21).
What are the key properties of 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid?
3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 163221724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).