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

HCID 22136277

Basic information

Standard SMILES
CCCN(CC1CC1)C(=O)c1c2c(nn1C)N(c1c(C)cc(C)cc1Cl)CCC2
InChIKey
GTABVIMYGMCLRL-UHFFFAOYSA-N
Molecular formula
C23H31ClN4O
Average molar mass
415 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 cyclopropylmethylpropylamide
IUPAC
7-(2-chloro-4,6-dimethylphenyl)-N-(cyclopropylmethyl)-2-methyl-N-propyl-5,6-dihydro-4H-pyrazolo[3,4-b]pyridine-3-carboxamide

Names & synonyms

SCHEMBL5039770GTABVIMYGMCLRL-UHFFFAOYSA-N7-(2-chloro-4,6-dimethylphenyl)-2-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid cyclopropylmethylpropylamide

Database identifiers

PubChem CID
22136277

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
41.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
29

Related reactions

5 records

Linked notes

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