3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine

C15H10FN3S — CID 22260709

IUPAC3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine
SMILESNc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C15H10FN3S/c16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h1-7H,17H2,(H,18,19)
InChIKeyQYWKZRYEZWFZIM-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.17
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine

3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine (PubChem CID 22260709) has the molecular formula C15H10FN3S and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine
PubChem CID22260709
Molecular FormulaC15H10FN3S
Molecular Weight283.33 g/mol
Exact Mass283.06
IUPAC Name3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine
SMILESNc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C15H10FN3S/c16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h1-7H,17H2,(H,18,19)
InChIKeyQYWKZRYEZWFZIM-UHFFFAOYSA-N
XLogP4.17
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-sulfonamide
CID 67456033
6-(Thiophen-3-yl)-1H-indazole
CID 18007497
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
3-(Thiophen-3-ylethynyl)-1H-indazole
CID 42606190
6-(4-methylthiophen-2-yl)-1H-indazole
CID 70851357
3-(1-benzothiophen-2-yl)-5-(2H-tetrazol-5-yl)-1H-indazole
CID 22480051
6-(Thiophen-2-yl)-1H-indazole
CID 53408450
3-(4-fluorophenyl)-1H-indazol-5-amine
CID 22480284
3-(1-benzothiophen-2-yl)-1H-pyrazol-5-amine
CID 61406881
3-(2-Thienyl)indazole
CID 11052643
Indazolyl thioether
CID 67022594
3-(4-fluorophenyl)-5-(2-thienyl)-1H-pyrazole
CID 9794827

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine?
The IUPAC name of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine (CID 22260709) is 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine is Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine?
The InChIKey is QYWKZRYEZWFZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3S/c16-10-7-12-9(6-11(10)17)15(19-18-12)14-5-8-3-1-2-4-13(8)20-14/h1-7H,17H2,(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine?
3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-amine has a molecular weight of 283.33 g/mol, XLogP of 4.17, 1 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)-6-fluoro-1H-indazol-5-amine is sourced from PubChem (CID 22260709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).