4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione

C13H13N5O3 — CID 66062066

IUPAC4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H13N5O3/c1-6-12(20)15-10(19)5-18(6)13(21)11-8-4-7(14)2-3-9(8)16-17-11/h2-4,6H,5,14H2,1H3,(H,16,17)(H,15,19,20)
InChIKeyCDVGGLSBPLINOZ-UHFFFAOYSA-N
MW287.28 g/mol
LogP-0.37
Rot. Bonds1

About 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione

4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66062066) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66062066
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1n[nH]c2ccc(N)cc12
InChIInChI=1S/C13H13N5O3/c1-6-12(20)15-10(19)5-18(6)13(21)11-8-4-7(14)2-3-9(8)16-17-11/h2-4,6H,5,14H2,1H3,(H,16,17)(H,15,19,20)
InChIKeyCDVGGLSBPLINOZ-UHFFFAOYSA-N
XLogP-0.37
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-1H-indazol-3-yl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 60905359
(5-amino-1H-indazol-3-yl)-pyrrolidin-1-ylmethanone
CID 54944522
1-(5-amino-1H-indazole-3-carbonyl)piperidine-2-carboxamide
CID 61107580
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
(5-amino-1H-indazol-3-yl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 63604993
(5-amino-1H-indazol-3-yl)-(azepan-1-yl)methanone
CID 54944846
(5-amino-1H-indazol-3-yl)-piperidin-1-ylmethanone
CID 54944980
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
(5-amino-1H-indazol-3-yl)-(3-ethylmorpholin-4-yl)methanone
CID 60905135
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-[2-(5-amino-2-pyridinyl)acetyl]-3-methylpiperazine-2,6-dione
CID 107339092

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione (CID 66062066) is 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1n[nH]c2ccc(N)cc12.
What is the InChIKey of 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is CDVGGLSBPLINOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-6-12(20)15-10(19)5-18(6)13(21)11-8-4-7(14)2-3-9(8)16-17-11/h2-4,6H,5,14H2,1H3,(H,16,17)(H,15,19,20).
What are the key properties of 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 287.28 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).