5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

C17H22N4O2 — CID 11536935

IUPAC5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NC3CC4CCC(C3)N4C)c2c1
InChIInChI=1S/C17H22N4O2/c1-21-11-3-4-12(21)8-10(7-11)18-17(22)16-14-9-13(23-2)5-6-15(14)19-20-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWPWJYGBHEZOZTG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.93
Rot. Bonds3

About 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide

5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (PubChem CID 11536935) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
PubChem CID11536935
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
SMILESCOc1ccc2[nH]nc(C(=O)NC3CC4CCC(C3)N4C)c2c1
InChIInChI=1S/C17H22N4O2/c1-21-11-3-4-12(21)8-10(7-11)18-17(22)16-14-9-13(23-2)5-6-15(14)19-20-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyWPWJYGBHEZOZTG-UHFFFAOYSA-N
XLogP1.93
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-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 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide (CID 11536935) is 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is COc1ccc2[nH]nc(C(=O)NC3CC4CCC(C3)N4C)c2c1.
What is the InChIKey of 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
The InChIKey is WPWJYGBHEZOZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21-11-3-4-12(21)8-10(7-11)18-17(22)16-14-9-13(23-2)5-6-15(14)19-20-16/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide?
5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 11536935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).