N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide

C16H17N3OS — CID 62907370

IUPACN-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2cn[nH]c2c1)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-4-13(15-5-3-8-21-15)18-16(20)11-6-7-12-10-17-19-14(12)9-11/h3,5-10,13H,2,4H2,1H3,(H,17,19)(H,18,20)
InChIKeyNATMNQLVYKDMPU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.90
Rot. Bonds5

About N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide

N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide (PubChem CID 62907370) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
PubChem CID62907370
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
SMILESCCCC(NC(=O)c1ccc2cn[nH]c2c1)c1cccs1
InChIInChI=1S/C16H17N3OS/c1-2-4-13(15-5-3-8-21-15)18-16(20)11-6-7-12-10-17-19-14(12)9-11/h3,5-10,13H,2,4H2,1H3,(H,17,19)(H,18,20)
InChIKeyNATMNQLVYKDMPU-UHFFFAOYSA-N
XLogP3.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 66464915
6-oxo-N-(1-thiophen-2-ylbutyl)-1H-pyridine-3-carboxamide
CID 61381400
4-(methylamino)-N-(1-thiophen-2-ylbutyl)benzamide
CID 62173495
5,6-dichloro-N-(1-thiophen-2-ylbutyl)pyridine-3-carboxamide
CID 61381170
1-methyl-N-(1-thiophen-2-ylbutyl)benzotriazole-5-carboxamide
CID 56753214
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
CID 115283782
N-(1-hydroxy-4-methylpentan-3-yl)-1H-indazole-6-carboxamide
CID 106352905
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645
N-(2-thiophen-2-ylethyl)-1H-indazole-6-carboxamide
CID 60714994
(2R)-3-hydroxy-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 80751119
(2S)-2-(1H-indazole-6-carbonylamino)-4-methylpentanoic acid
CID 61154648
N-(1-phenylpropan-2-yl)-1H-indazole-6-carboxamide
CID 63010618

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide (CID 62907370) is N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide is CCCC(NC(=O)c1ccc2cn[nH]c2c1)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide?
The InChIKey is NATMNQLVYKDMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-2-4-13(15-5-3-8-21-15)18-16(20)11-6-7-12-10-17-19-14(12)9-11/h3,5-10,13H,2,4H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide?
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide is sourced from PubChem (CID 62907370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).