(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate

C17H21N3O2 — CID 14788238

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C17H21N3O2/c1-19-11-7-8-12(19)10-13(9-11)22-17(21)16-14-5-3-4-6-15(14)20(2)18-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyNJEHWAUFGBCNMZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.36
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate (PubChem CID 14788238) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate
PubChem CID14788238
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1nn(C)c3ccccc13)C2
InChIInChI=1S/C17H21N3O2/c1-19-11-7-8-12(19)10-13(9-11)22-17(21)16-14-5-3-4-6-15(14)20(2)18-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyNJEHWAUFGBCNMZ-UHFFFAOYSA-N
XLogP2.36
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate (CID 14788238) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate is CN1C2CCC1CC(OC(=O)c1nn(C)c3ccccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate?
The InChIKey is NJEHWAUFGBCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19-11-7-8-12(19)10-13(9-11)22-17(21)16-14-5-3-4-6-15(14)20(2)18-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-methylindazole-3-carboxylate is sourced from PubChem (CID 14788238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).