7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C16H17N3O3 — CID 136549609

IUPAC7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cn1cc2ccccc2n1
InChIInChI=1S/C16H17N3O3/c20-15(9-18-8-10-3-1-2-4-13(10)17-18)19-11-5-6-14(19)12(7-11)16(21)22/h1-4,8,11-12,14H,5-7,9H2,(H,21,22)
InChIKeyJFRJDCMQJMVNDP-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.50
Rot. Bonds3

About 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 136549609) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID136549609
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cn1cc2ccccc2n1
InChIInChI=1S/C16H17N3O3/c20-15(9-18-8-10-3-1-2-4-13(10)17-18)19-11-5-6-14(19)12(7-11)16(21)22/h1-4,8,11-12,14H,5-7,9H2,(H,21,22)
InChIKeyJFRJDCMQJMVNDP-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid 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 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 136549609) is 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)Cn1cc2ccccc2n1.
What is the InChIKey of 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is JFRJDCMQJMVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(9-18-8-10-3-1-2-4-13(10)17-18)19-11-5-6-14(19)12(7-11)16(21)22/h1-4,8,11-12,14H,5-7,9H2,(H,21,22).
What are the key properties of 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 136549609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).