N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide

C22H14FN3OS — CID 22479887

IUPACN-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide
SMILESO=C(Nc1cc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H14FN3OS/c23-16-11-9-14(10-12-16)21-17-6-2-3-7-18(17)26(25-21)22(27)24-20-13-15-5-1-4-8-19(15)28-20/h1-13H,(H,24,27)
InChIKeyQZJUAHJYRJRIJG-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.14
Rot. Bonds2

About N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide

N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide (PubChem CID 22479887) has the molecular formula C22H14FN3OS and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide
PubChem CID22479887
Molecular FormulaC22H14FN3OS
Molecular Weight387.44 g/mol
Exact Mass387.08
IUPAC NameN-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide
SMILESO=C(Nc1cc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H14FN3OS/c23-16-11-9-14(10-12-16)21-17-6-2-3-7-18(17)26(25-21)22(27)24-20-13-15-5-1-4-8-19(15)28-20/h1-13H,(H,24,27)
InChIKeyQZJUAHJYRJRIJG-UHFFFAOYSA-N
XLogP6.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide?
The IUPAC name of N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide (CID 22479887) is N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide?
The canonical SMILES for N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide is O=C(Nc1cc2ccccc2s1)n1nc(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide?
The InChIKey is QZJUAHJYRJRIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN3OS/c23-16-11-9-14(10-12-16)21-17-6-2-3-7-18(17)26(25-21)22(27)24-20-13-15-5-1-4-8-19(15)28-20/h1-13H,(H,24,27).
What are the key properties of N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide?
N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-2-yl)-3-(4-fluorophenyl)indazole-1-carboxamide is sourced from PubChem (CID 22479887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).