Basic information
- Standard SMILES
CCOC(=O)C1=C(C)Nc2c(cnn2CC)C1c1cccc(Cl)c1- InChIKey
JKQASINGGMDHSI-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O2
- Average molar mass
- 345.8 g/mol
Names & identifiers
- Preferred name
- 1h-Pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-(3-chlorophenyl)-1-ethyl-4,7-dihydro-6-methyl-,ethyl ester
- IUPAC
- ethyl 4-(3-chlorophenyl)-1-ethyl-6-methyl-4,7-dihydropyrazolo[5,4-b]pyridine-5-carboxylate
Names & synonyms
1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid,4-(3-chlorophenyl)-1-ethyl-4,7-dihydro-6-methyl-,ethyl ester872682-62-7SCHEMBL4771819JKQASINGGMDHSI-UHFFFAOYSA-Nethyl 4-(3-chlorophenyl)-1-ethyl-6-methyl-4,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 136237941
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 510
Related reactions
2 records
Compound notes
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