1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

C13H12N4O4 — CID 107433226

IUPAC1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2n[nH]c3ccccc23)C(C(=O)O)CN1
InChIInChI=1S/C13H12N4O4/c18-10-6-17(9(5-14-10)13(20)21)12(19)11-7-3-1-2-4-8(7)15-16-11/h1-4,9H,5-6H2,(H,14,18)(H,15,16)(H,20,21)
InChIKeyJXBWMULIYNDIPI-UHFFFAOYSA-N
MW288.26 g/mol
LogP-0.41
Rot. Bonds2

About 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid

1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (PubChem CID 107433226) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
PubChem CID107433226
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2n[nH]c3ccccc23)C(C(=O)O)CN1
InChIInChI=1S/C13H12N4O4/c18-10-6-17(9(5-14-10)13(20)21)12(19)11-7-3-1-2-4-8(7)15-16-11/h1-4,9H,5-6H2,(H,14,18)(H,15,16)(H,20,21)
InChIKeyJXBWMULIYNDIPI-UHFFFAOYSA-N
XLogP-0.41
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432864
1-benzoyl-5-oxopiperazine-2-carboxylic acid
CID 107432787
(2S)-4-hydroxy-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151942
1-(2-methylsulfanylpyridine-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433153
2,5-diazabicyclo[2.2.1]heptan-2-yl(1H-indazol-3-yl)methanone
CID 69289370
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
5-oxo-1-(2H-triazole-4-carbonyl)piperazine-2-carboxylic acid
CID 107433380
1-(furan-2-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107433203
1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid
CID 107432808
2,5-diazabicyclo[2.2.2]octan-2-yl(1H-indazol-3-yl)methanone
CID 11161171
[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 66932254
2-(1H-indazole-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 126799296

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The IUPAC name of 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid (CID 107433226) is 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The canonical SMILES for 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is O=C1CN(C(=O)c2n[nH]c3ccccc23)C(C(=O)O)CN1.
What is the InChIKey of 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
The InChIKey is JXBWMULIYNDIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-10-6-17(9(5-14-10)13(20)21)12(19)11-7-3-1-2-4-8(7)15-16-11/h1-4,9H,5-6H2,(H,14,18)(H,15,16)(H,20,21).
What are the key properties of 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid?
1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazole-3-carbonyl)-5-oxopiperazine-2-carboxylic acid is sourced from PubChem (CID 107433226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).