7-(2-chloro-4,6-dimethylphenyl)-2-methyl-3-(1-propylbutyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine

HCID 22136261
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Basic information

Standard SMILES
CCCC(CCC)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2
InChIKey
NNLKJTATTMPKGL-UHFFFAOYSA-N
Molecular formula
C22H32ClN3
Average molar mass
374 g/mol

Names & identifiers

Preferred name
7-(2-chloro-4,6-dimethylphenyl)-2-methyl-3-(1-propylbutyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine
IUPAC
7-(2-chloro-4,6-dimethylphenyl)-3-heptan-4-yl-2-methyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine

Names & synonyms

SCHEMBL5039393NNLKJTATTMPKGL-UHFFFAOYSA-N7-(2-chloro-4,6-dimethylphenyl)-2-methyl-3-(1-propylbutyl)-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine

Database identifiers

PubChem CID
22136261

Properties

Computed structural properties

XLogP
7
Topological polar surface area
21.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
6
Heavy atoms
26

Related reactions

5 records
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Compound notes

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