N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide

C20H22N4OS — CID 66669652

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2
InChIInChI=1S/C20H22N4OS/c1-24-14-5-6-15(24)11-13(10-14)21-20(25)19-16-7-4-12(9-17(16)22-23-19)18-3-2-8-26-18/h2-4,7-8,13-15H,5-6,9-11H2,1H3,(H,21,25)
InChIKeyVELKDBBPNULYJX-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.01
Rot. Bonds3

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide (PubChem CID 66669652) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
PubChem CID66669652
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2
InChIInChI=1S/C20H22N4OS/c1-24-14-5-6-15(24)11-13(10-14)21-20(25)19-16-7-4-12(9-17(16)22-23-19)18-3-2-8-26-18/h2-4,7-8,13-15H,5-6,9-11H2,1H3,(H,21,25)
InChIKeyVELKDBBPNULYJX-UHFFFAOYSA-N
XLogP3.01
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-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-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide (CID 66669652) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The InChIKey is VELKDBBPNULYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-14-5-6-15(24)11-13(10-14)21-20(25)19-16-7-4-12(9-17(16)22-23-19)18-3-2-8-26-18/h2-4,7-8,13-15H,5-6,9-11H2,1H3,(H,21,25).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide has a molecular weight of 366.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide is sourced from PubChem (CID 66669652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).