N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide

C21H24N4OS — CID 69371833

IUPACN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2
InChIInChI=1S/C21H24N4OS/c1-25-15-4-2-5-16(25)12-14(11-15)22-21(26)20-17-8-7-13(10-18(17)23-24-20)19-6-3-9-27-19/h3,6-9,14-16H,2,4-5,10-12H2,1H3,(H,22,26)
InChIKeyOSZFDPVCQDLMLZ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.40
Rot. Bonds3

About N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide

N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide (PubChem CID 69371833) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
PubChem CID69371833
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide
SMILESCN1C2CCCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2
InChIInChI=1S/C21H24N4OS/c1-25-15-4-2-5-16(25)12-14(11-15)22-21(26)20-17-8-7-13(10-18(17)23-24-20)19-6-3-9-27-19/h3,6-9,14-16H,2,4-5,10-12H2,1H3,(H,22,26)
InChIKeyOSZFDPVCQDLMLZ-UHFFFAOYSA-N
XLogP3.40
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The IUPAC name of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide (CID 69371833) is N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide.
What is the SMILES notation for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The canonical SMILES for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide is CN1C2CCCC1CC(NC(=O)C1=NN=C3CC(c4cccs4)=CC=C31)C2.
What is the InChIKey of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
The InChIKey is OSZFDPVCQDLMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-25-15-4-2-5-16(25)12-14(11-15)22-21(26)20-17-8-7-13(10-18(17)23-24-20)19-6-3-9-27-19/h3,6-9,14-16H,2,4-5,10-12H2,1H3,(H,22,26).
What are the key properties of N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide?
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-6-thiophen-2-yl-7H-indazole-3-carboxamide is sourced from PubChem (CID 69371833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).