Basic information
- Standard SMILES
CCOC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CCCCC1- InChIKey
VEXJCJWHJAUSQZ-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2
- Average molar mass
- 327.4 g/mol
Names & identifiers
- Preferred name
- Ethyl 1-cyclohexyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
- IUPAC
- ethyl 1-cyclohexyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
Names & synonyms
SCHEMBL1695025VEXJCJWHJAUSQZ-UHFFFAOYSA-NEthyl 1-cyclohexyl-6-cyclopropyl-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylateethyl 6-cyclopropyl-1-(1-cyclohexyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
Database identifiers
- PubChem CID
- 67124309
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
4 records
Compound notes
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