2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide

C21H23N5O2 — CID 108530132

IUPAC2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4cn[nH]c4c3)CC2)c1C
InChIInChI=1S/C21H23N5O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)21(28)20(27)23-17-7-6-16-13-22-24-18(16)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyQMAXVKKURBIEHN-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.47
Rot. Bonds2

About 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide (PubChem CID 108530132) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide
PubChem CID108530132
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide
SMILESCc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4cn[nH]c4c3)CC2)c1C
InChIInChI=1S/C21H23N5O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)21(28)20(27)23-17-7-6-16-13-22-24-18(16)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)(H,23,27)
InChIKeyQMAXVKKURBIEHN-UHFFFAOYSA-N
XLogP2.47
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide 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

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108532336
N-(3H-benzimidazol-5-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108886011
N-(1H-indazol-6-yl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108530138
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
N-[3-(dimethylamino)phenyl]-N'-(1H-indazol-6-yl)oxamide
CID 108529059
N-(2,3-dichlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108500858
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108531669
N-(2-butan-2-ylphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108532341
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108508619
1-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoacetyl]piperidine-4-carboxamide
CID 108532094

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide (CID 108530132) is 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide is Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc4cn[nH]c4c3)CC2)c1C.
What is the InChIKey of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide?
The InChIKey is QMAXVKKURBIEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-14-4-3-5-19(15(14)2)25-8-10-26(11-9-25)21(28)20(27)23-17-7-6-16-13-22-24-18(16)12-17/h3-7,12-13H,8-11H2,1-2H3,(H,22,24)(H,23,27).
What are the key properties of 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide?
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide has a molecular weight of 377.45 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(1H-indazol-6-yl)-2-oxoacetamide is sourced from PubChem (CID 108530132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).