3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid

C17H12N2O3S — CID 22260859

IUPAC3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C17H12N2O3S/c1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyDRLQXYQFGDQLLW-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.15
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid

3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid (PubChem CID 22260859) has the molecular formula C17H12N2O3S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid
PubChem CID22260859
Molecular FormulaC17H12N2O3S
Molecular Weight324.36 g/mol
Exact Mass324.06
IUPAC Name3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid
SMILESCOc1c(C(=O)O)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C17H12N2O3S/c1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyDRLQXYQFGDQLLW-UHFFFAOYSA-N
XLogP4.15
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid (CID 22260859) is 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid is COc1c(C(=O)O)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid?
The InChIKey is DRLQXYQFGDQLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S/c1-22-16-10(17(20)21)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)23-13/h2-8H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid?
3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid has a molecular weight of 324.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).