3-[4,6-Dichloro-5-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-2-pyrimidinyl]-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine
Basic information
- Standard SMILES
Fc1ccccc1Cn1nc(-c2nc(Cl)c(N3CC4CCC(C3)O4)c(Cl)n2)c2cccnc21- InChIKey
YCILJFKQQOWNOC-UHFFFAOYSA-N- Molecular formula
- C23H19Cl2FN6O
- Average molar mass
- 485.3 g/mol
Names & identifiers
- Preferred name
- 3-[4,6-Dichloro-5-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-2-pyrimidinyl]-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 3-[4,6-dichloro-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]pyrimidin-5-yl]-8-oxa-3-azabicyclo[3.2.1]octane
Names & synonyms
SCHEMBL5777795YCILJFKQQOWNOC-UHFFFAOYSA-N3-[4,6-Dichloro-5-(8-oxa-3-azabicyclo[3.2.1]oct-3-yl)-2-pyrimidinyl]-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- PubChem CID
- 21983530
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
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Related reactions
1 records
Compound notes
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