3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide

C21H21N3O4 — CID 23589731

IUPAC3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1OC
InChIInChI=1S/C21H21N3O4/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyZASQFXBQSKDAKL-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.75
Rot. Bonds7

About 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 23589731) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
PubChem CID23589731
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide
SMILESCCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1OC
InChIInChI=1S/C21H21N3O4/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyZASQFXBQSKDAKL-UHFFFAOYSA-N
XLogP3.75
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-benzofuran-2-yl)-4-fluoro-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589715
4-methoxy-3-naphthalen-2-yl-N-(2-thiophen-2-ylethyl)-1H-indazole-5-carboxamide
CID 23589805
3-[[3-(1-benzofuran-2-yl)-1H-indazole-5-carbonyl]amino]propyl-dimethylazanium
CID 142112571
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide
CID 135617763
3-(1-benzofuran-2-yl)-N-cyclopropyl-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(cyclopropylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-methoxy-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(3-methoxyphenyl)methyl]-2H-indazole-5-carboxamide;3-(1-benzofuran-2-yl)-4-methoxy-N-[(5-methylfuran-2-yl)methyl]-2H-indazole-5-carboxamide
CID 159225184
3-(1-benzofuran-2-yl)-N-(1-hydroxy-3-methylbutan-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135617759
N-(1-amino-1-oxopropan-2-yl)-3-(1-benzofuran-2-yl)-4-methoxy-2H-indazole-5-carboxamide
CID 135617758
N-(2-naphthalen-1-yloxyethyl)-2-oxochromene-3-carboxamide
CID 19174708
4-methoxy-3-naphthalen-2-yl-1H-indazole-5-carboxylic acid
CID 22260698
3-(1-benzofuran-2-yl)-1H-indazole-5-carboxamide
CID 22479843
N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
CID 115699680
2-amino-N-(2-ethoxyethyl)-4-methoxybenzamide
CID 115412594

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide (CID 23589731) is 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide is CCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1OC.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
The InChIKey is ZASQFXBQSKDAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-3-27-11-10-22-21(25)14-8-9-15-18(20(14)26-2)19(24-23-15)17-12-13-6-4-5-7-16(13)28-17/h4-9,12H,3,10-11H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(2-ethoxyethyl)-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).