3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide

C16H11N3OS — CID 22479871

IUPAC3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1
InChIInChI=1S/C16H11N3OS/c17-16(20)10-5-6-12-11(7-10)15(19-18-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H2,17,20)(H,18,19)
InChIKeyDOGPCLKWDDYMNL-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.54
Rot. Bonds2

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

3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide (PubChem CID 22479871) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
PubChem CID22479871
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide
SMILESNC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1
InChIInChI=1S/C16H11N3OS/c17-16(20)10-5-6-12-11(7-10)15(19-18-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H2,17,20)(H,18,19)
InChIKeyDOGPCLKWDDYMNL-UHFFFAOYSA-N
XLogP3.54
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methyl-1-benzothiophen-3-yl)-1H-pyrazole-5-carboxamide
CID 118715041
3-(1-benzothiophen-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738015
3-(4-fluorophenyl)-1H-indazole-5-carboxamide
CID 9992519
3-Benzo[b]thiophen-2-yl-1H-5-indazolecarboxylic Acid
CID 22260665
3-(3-aminophenyl)-1H-indazole-5-carboxamide
CID 22479700
3-[3-(2-Thienylcarbonylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22479821
3-(2-phenylethynyl)-2H-indazole-5-carboxamide
CID 22479958
3-[3-(2-(3-Thienyl)Acetylamino)Phenyl]-1H-Indazole-5-Carboxamide
CID 22480074
3-(5-methyl-1H-indazol-3-yl)benzamide
CID 155410664
3-(1-benzothiophen-3-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738023
3-(1-Benzothiophen-2-yl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738030
3-(1H-indazol-5-yl)-4-methylsulfanylbenzamide
CID 172443160

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide (CID 22479871) is 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide is NC(=O)c1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
The InChIKey is DOGPCLKWDDYMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c17-16(20)10-5-6-12-11(7-10)15(19-18-12)14-8-9-3-1-2-4-13(9)21-14/h1-8H,(H2,17,20)(H,18,19).
What are the key properties of 3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide?
3-(1-benzothiophen-2-yl)-1H-indazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 3.54, 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-carboxamide is sourced from PubChem (CID 22479871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).