7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

HCID 22136263
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c(N2CCCc3c2nn(C)c3C(=O)O)c(Cl)c1
InChIKey
BKKHWZIRAKTKRX-UHFFFAOYSA-N
Molecular formula
C16H18ClN3O2
Average molar mass
319.78 g/mol

Names & identifiers

Preferred name
7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
IUPAC
7-(2-chloro-4,6-dimethylphenyl)-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

Names & synonyms

SCHEMBL5039390BKKHWZIRAKTKRX-UHFFFAOYSA-N7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid

Database identifiers

PubChem CID
22136263

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
58.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

Related reactions

15 records
New reaction record

Compound notes

Loading…