5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid

C20H16N2O4 — CID 10926105

IUPAC5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid
SMILESCOc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O4/c1-25-14-7-8-15-16(11-14)22(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyPEHVEOPLWVVLAE-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.05
Rot. Bonds5

About 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid

5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid (PubChem CID 10926105) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid
PubChem CID10926105
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid
SMILESCOc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C20H16N2O4/c1-25-14-7-8-15-16(11-14)22(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,23,24)
InChIKeyPEHVEOPLWVVLAE-UHFFFAOYSA-N
XLogP4.05
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid (CID 10926105) is 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid is COc1ccc2c(-c3ccc(C(=O)O)o3)nn(Cc3ccccc3)c2c1.
What is the InChIKey of 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid?
The InChIKey is PEHVEOPLWVVLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-25-14-7-8-15-16(11-14)22(12-13-5-3-2-4-6-13)21-19(15)17-9-10-18(26-17)20(23)24/h2-11H,12H2,1H3,(H,23,24).
What are the key properties of 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid?
5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyl-6-methoxyindazol-3-yl)furan-2-carboxylic acid is sourced from PubChem (CID 10926105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).