3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide

C20H20N4O2 — CID 20789075

IUPAC3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C20H20N4O2/c1-24(2)10-9-21-20(25)14-7-8-16-15(11-14)19(23-22-16)18-12-13-5-3-4-6-17(13)26-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWESUPUCNKAQQTB-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.27
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide (PubChem CID 20789075) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
PubChem CID20789075
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1
InChIInChI=1S/C20H20N4O2/c1-24(2)10-9-21-20(25)14-7-8-16-15(11-14)19(23-22-16)18-12-13-5-3-4-6-17(13)26-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyWESUPUCNKAQQTB-UHFFFAOYSA-N
XLogP3.27
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide (CID 20789075) is 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide is CN(C)CCNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
The InChIKey is WESUPUCNKAQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24(2)10-9-21-20(25)14-7-8-16-15(11-14)19(23-22-16)18-12-13-5-3-4-6-17(13)26-18/h3-8,11-12H,9-10H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of 3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-[2-(dimethylamino)ethyl]-1H-indazole-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.27, 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-(dimethylamino)ethyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 20789075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).