Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CCl- InChIKey
QQWJYPMRLMCIMP-UHFFFAOYSA-N- Molecular formula
- C16H23ClN4O
- Average molar mass
- 322.83 g/mol
- Monoisotopic mass
- 322.1560391
Names & identifiers
- Preferred name
- 5-(chloromethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
- IUPAC
- 5-(chloromethyl)-1,6-diethyl-N-(oxan-4-yl)pyrazolo[3,4-b]pyridin-4-amine
Names & synonyms
5-(chloromethyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amineSCHEMBL1363897QQWJYPMRLMCIMP-UHFFFAOYSA-NDB-1546725-(chloro-methyl)-1,6-diethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridine-4-amine932113-90-1
Database identifiers
- PubChem CID
- 59683228
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 353
Related reactions
5 records
Compound notes
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