N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide

C17H12FN3OS — CID 22261020

IUPACN-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C17H12FN3OS/c1-9(22)19-14-7-11-13(8-12(14)18)20-21-17(11)16-6-10-4-2-3-5-15(10)23-16/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyJVAZHIFRVYQCLQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.54
Rot. Bonds2

About N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide

N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide (PubChem CID 22261020) has the molecular formula C17H12FN3OS and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide
PubChem CID22261020
Molecular FormulaC17H12FN3OS
Molecular Weight325.37 g/mol
Exact Mass325.07
IUPAC NameN-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide
SMILESCC(=O)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F
InChIInChI=1S/C17H12FN3OS/c1-9(22)19-14-7-11-13(8-12(14)18)20-21-17(11)16-6-10-4-2-3-5-15(10)23-16/h2-8H,1H3,(H,19,22)(H,20,21)
InChIKeyJVAZHIFRVYQCLQ-UHFFFAOYSA-N
XLogP4.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide?
The IUPAC name of N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide (CID 22261020) is N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide?
The canonical SMILES for N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide is CC(=O)Nc1cc2c(-c3cc4ccccc4s3)n[nH]c2cc1F.
What is the InChIKey of N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide?
The InChIKey is JVAZHIFRVYQCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3OS/c1-9(22)19-14-7-11-13(8-12(14)18)20-21-17(11)16-6-10-4-2-3-5-15(10)23-16/h2-8H,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide?
N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzothiophen-2-yl)-6-fluoro-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 22261020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).