3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium

C21H23N4O2+ — CID 142112571

IUPAC3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C21H22N4O2/c1-25(2)11-5-10-22-21(26)15-8-9-17-16(12-15)20(24-23-17)19-13-14-6-3-4-7-18(14)27-19/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,26)(H,23,24)/p+1
InChIKeyXTIZXQIPSCVWSA-UHFFFAOYSA-O
MW363.44 g/mol
LogP2.24
Rot. Bonds6

About 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium

3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium (PubChem CID 142112571) has the molecular formula C21H23N4O2+ and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium.

Molecular Properties

Compound Name3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
PubChem CID142112571
Molecular FormulaC21H23N4O2+
Molecular Weight363.44 g/mol
Exact Mass363.18
IUPAC Name3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
SMILESC[NH+](C)CCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C21H22N4O2/c1-25(2)11-5-10-22-21(26)15-8-9-17-16(12-15)20(24-23-17)19-13-14-6-3-4-7-18(14)27-19/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,26)(H,23,24)/p+1
InChIKeyXTIZXQIPSCVWSA-UHFFFAOYSA-O
XLogP2.24
TPSA75.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium 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

3-(1-benzofuran-2-yl)-1H-indazole-5-carboxamide
CID 22479843
1-[3-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-1H-1,2,4-triazol-5-yl]-N-methylmethanamine
CID 67565101
3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
CID 23589731
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
3-(4-fluorophenyl)-N-(3-hydroxypropyl)-1H-indazole-5-carboxamide
CID 20789056
3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide
CID 22260995
4-[3-(1-benzofuran-2-yl)pyrazol-1-yl]-N-octylbenzamide
CID 172876459
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-3-oxo-1,2-dihydroindene-1-carboxamide
CID 23589912
N-[2-(methylamino)ethyl]-3-(5-phenyl-1H-imidazol-2-yl)-1H-indazole-5-carboxamide
CID 171830421
3-[(3-chloro-4-methylbenzoyl)amino]propyl-dimethylazanium
CID 2261401
N-[3-[(3-hydroxybenzoyl)amino]propyl]-1H-indazole-3-carboxamide
CID 51105768

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium?
The IUPAC name of 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium (CID 142112571) is 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium.
What is the SMILES notation for 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium?
The canonical SMILES for 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium is C[NH+](C)CCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium?
The InChIKey is XTIZXQIPSCVWSA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H22N4O2/c1-25(2)11-5-10-22-21(26)15-8-9-17-16(12-15)20(24-23-17)19-13-14-6-3-4-7-18(14)27-19/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H,22,26)(H,23,24)/p+1.
What are the key properties of 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium?
3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium has a molecular weight of 363.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 142112571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).