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

C16H10N2O2S — CID 22260665

IUPAC3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1
InChIInChI=1S/C16H10N2O2S/c19-16(20)10-5-6-12-11(7-10)15(18-17-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H,17,18)(H,19,20)
InChIKeyLCOZHNDBWLJTIN-UHFFFAOYSA-N
MW294.34 g/mol
LogP4.14
Rot. Bonds2

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

3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid (PubChem CID 22260665) has the molecular formula C16H10N2O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid
PubChem CID22260665
Molecular FormulaC16H10N2O2S
Molecular Weight294.34 g/mol
Exact Mass294.05
IUPAC Name3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid
SMILESO=C(O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1
InChIInChI=1S/C16H10N2O2S/c19-16(20)10-5-6-12-11(7-10)15(18-17-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H,17,18)(H,19,20)
InChIKeyLCOZHNDBWLJTIN-UHFFFAOYSA-N
XLogP4.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid?
The IUPAC name of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid (CID 22260665) is 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid is O=C(O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid?
The InChIKey is LCOZHNDBWLJTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2S/c19-16(20)10-5-6-12-11(7-10)15(18-17-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H,17,18)(H,19,20).
What are the key properties of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid?
3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid has a molecular weight of 294.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxylic acid is sourced from PubChem (CID 22260665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).