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
- Formal charge
- 0
- Complexity
- 585
Related reactions
5 records
Linked notes
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