1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

C17H22N4O2 — CID 21478770

IUPAC1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C17H22N4O2/c1-20-12-7-11(8-13(20)10-23-9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
InChIKeyOUNSMXJSBSCHSD-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.16
Rot. Bonds2

About 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide

1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (PubChem CID 21478770) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
PubChem CID21478770
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide
SMILESCN1C2COCC1CC(NC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C17H22N4O2/c1-20-12-7-11(8-13(20)10-23-9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
InChIKeyOUNSMXJSBSCHSD-UHFFFAOYSA-N
XLogP1.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)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 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide (CID 21478770) is 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is CN1C2COCC1CC(NC(=O)c1nn(C)c3ccccc13)C2.
What is the InChIKey of 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
The InChIKey is OUNSMXJSBSCHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20-12-7-11(8-13(20)10-23-9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide?
1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)indazole-3-carboxamide is sourced from PubChem (CID 21478770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).