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

C16H11BrN2OS — CID 22260972

IUPAC3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole
SMILESCOc1c(Br)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C16H11BrN2OS/c1-20-16-10(17)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)21-13/h2-8H,1H3,(H,18,19)
InChIKeyNUISRBSVWQXUKI-UHFFFAOYSA-N
MW359.25 g/mol
LogP5.22
Rot. Bonds2

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

3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole (PubChem CID 22260972) has the molecular formula C16H11BrN2OS and a molecular weight of 359.25 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole
PubChem CID22260972
Molecular FormulaC16H11BrN2OS
Molecular Weight359.25 g/mol
Exact Mass357.98
IUPAC Name3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole
SMILESCOc1c(Br)ccc2[nH]nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C16H11BrN2OS/c1-20-16-10(17)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)21-13/h2-8H,1H3,(H,18,19)
InChIKeyNUISRBSVWQXUKI-UHFFFAOYSA-N
XLogP5.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.25
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-2-yl)-6-(2-fluorophenoxy)-1H-indazole
CID 11772804
5-bromo-3-(3-fluorophenyl)-6-methoxy-1H-indazole
CID 22260973
5-bromo-3-(3-fluoro-phenyl)-4-methoxy-1H-indazole
CID 22261064
5-bromo-6-methoxy-3-(3-methylbenzyl)-1H-indazole
CID 57813812
3-(1-benzothiophen-2-yl)-4-methoxy-1H-indazol-5-amine
CID 68421756
[5-Amino-3-(1-benzothiophen-2-yl)-4-methoxyindazol-1-yl]thallium
CID 154534088
5-bromo-6-methoxy-3-[(3-methylphenyl)methyl]-2H-indazole;methane
CID 159556054
5-bromo-3-ethyl-4-methoxy-2H-indazole
CID 168932014
5-bromo-4-methoxy-3-methyl-2H-indazole
CID 84702333

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole?
The IUPAC name of 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole (CID 22260972) is 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole is COc1c(Br)ccc2[nH]nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole?
The InChIKey is NUISRBSVWQXUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2OS/c1-20-16-10(17)6-7-11-14(16)15(19-18-11)13-8-9-4-2-3-5-12(9)21-13/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole?
3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole has a molecular weight of 359.25 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-5-bromo-4-methoxy-1H-indazole is sourced from PubChem (CID 22260972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).