3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

C19H14N2O4 — CID 69286928

IUPAC3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4occc4c3)c12
InChIInChI=1S/C19H14N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyZFFNWOSJSFZZIW-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.19
Rot. Bonds4

About 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid

3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 69286928) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID69286928
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4occc4c3)c12
InChIInChI=1S/C19H14N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-10H,1H3,(H,20,21)(H,22,23)
InChIKeyZFFNWOSJSFZZIW-UHFFFAOYSA-N
XLogP4.19
TPSA88.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid (CID 69286928) is 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(C=Cc3ccc4occc4c3)c12.
What is the InChIKey of 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is ZFFNWOSJSFZZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-24-18-13(19(22)23)4-6-15-17(18)14(20-21-15)5-2-11-3-7-16-12(10-11)8-9-25-16/h2-10H,1H3,(H,20,21)(H,22,23).
What are the key properties of 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid?
3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 334.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-benzofuran-5-yl)ethenyl]-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 69286928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).