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

C17H13N3O2 — CID 20789081

IUPAC3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C17H13N3O2/c1-18-17(21)11-6-7-13-12(8-11)16(20-19-13)15-9-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyGMZCVIVBLYGWCM-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.34
Rot. Bonds2

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

3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide (PubChem CID 20789081) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide
PubChem CID20789081
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide
SMILESCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C17H13N3O2/c1-18-17(21)11-6-7-13-12(8-11)16(20-19-13)15-9-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,21)(H,19,20)
InChIKeyGMZCVIVBLYGWCM-UHFFFAOYSA-N
XLogP3.34
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide (CID 20789081) is 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide is CNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide?
The InChIKey is GMZCVIVBLYGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-18-17(21)11-6-7-13-12(8-11)16(20-19-13)15-9-10-4-2-3-5-14(10)22-15/h2-9H,1H3,(H,18,21)(H,19,20).
What are the key properties of 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-methyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).