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

C20H22N4OS — CID 69373011

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4ccsc4)=CC=C31)C2
InChIInChI=1S/C20H22N4OS/c1-24-15-3-4-16(24)10-14(9-15)21-20(25)19-17-5-2-12(8-18(17)22-23-19)13-6-7-26-11-13/h2,5-7,11,14-16H,3-4,8-10H2,1H3,(H,21,25)
InChIKeyJMQFEXJDRRETFQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.01
Rot. Bonds3

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

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide (PubChem CID 69373011) 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-3-yl-7H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide
PubChem CID69373011
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4ccsc4)=CC=C31)C2
InChIInChI=1S/C20H22N4OS/c1-24-15-3-4-16(24)10-14(9-15)21-20(25)19-17-5-2-12(8-18(17)22-23-19)13-6-7-26-11-13/h2,5-7,11,14-16H,3-4,8-10H2,1H3,(H,21,25)
InChIKeyJMQFEXJDRRETFQ-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

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Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide (CID 69373011) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide is CN1C2CCC1CC(NC(=O)C1=NN=C3CC(c4ccsc4)=CC=C31)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide?
The InChIKey is JMQFEXJDRRETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-24-15-3-4-16(24)10-14(9-15)21-20(25)19-17-5-2-12(8-18(17)22-23-19)13-6-7-26-11-13/h2,5-7,11,14-16H,3-4,8-10H2,1H3,(H,21,25).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-yl-7H-indazole-3-carboxamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-6-thiophen-3-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-3-yl-7H-indazole-3-carboxamide is sourced from PubChem (CID 69373011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).