2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine

C21H23N3O — CID 18007569

IUPAC2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1ncc2ccc(-c3cc4ccccc4o3)cc21
InChIInChI=1S/C21H23N3O/c1-3-23(4-2)11-12-24-19-13-17(9-10-18(19)15-22-24)21-14-16-7-5-6-8-20(16)25-21/h5-10,13-15H,3-4,11-12H2,1-2H3
InChIKeyDYNUCWLAZZKNMK-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.79
Rot. Bonds6

About 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine

2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine (PubChem CID 18007569) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine
PubChem CID18007569
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1ncc2ccc(-c3cc4ccccc4o3)cc21
InChIInChI=1S/C21H23N3O/c1-3-23(4-2)11-12-24-19-13-17(9-10-18(19)15-22-24)21-14-16-7-5-6-8-20(16)25-21/h5-10,13-15H,3-4,11-12H2,1-2H3
InChIKeyDYNUCWLAZZKNMK-UHFFFAOYSA-N
XLogP4.79
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine (CID 18007569) is 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1ncc2ccc(-c3cc4ccccc4o3)cc21.
What is the InChIKey of 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine?
The InChIKey is DYNUCWLAZZKNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-3-23(4-2)11-12-24-19-13-17(9-10-18(19)15-22-24)21-14-16-7-5-6-8-20(16)25-21/h5-10,13-15H,3-4,11-12H2,1-2H3.
What are the key properties of 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine?
2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine has a molecular weight of 333.44 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-benzofuran-2-yl)indazol-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 18007569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).