3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide

C19H17N3O3 — CID 20789076

IUPAC3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O3/c1-24-9-8-20-19(23)13-6-7-15-14(10-13)18(22-21-15)17-11-12-4-2-3-5-16(12)25-17/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyOZBYQJKAJGLIHH-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.35
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide (PubChem CID 20789076) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
PubChem CID20789076
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C19H17N3O3/c1-24-9-8-20-19(23)13-6-7-15-14(10-13)18(22-21-15)17-11-12-4-2-3-5-16(12)25-17/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22)
InChIKeyOZBYQJKAJGLIHH-UHFFFAOYSA-N
XLogP3.35
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide (CID 20789076) is 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide is COCCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide?
The InChIKey is OZBYQJKAJGLIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-9-8-20-19(23)13-6-7-15-14(10-13)18(22-21-15)17-11-12-4-2-3-5-16(12)25-17/h2-7,10-11H,8-9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(2-methoxyethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).