Basic information
- Standard SMILES
O=C(c1n[nH]c2cnccc12)N1CCN2CCC1CC2- InChIKey
AWLIQUHKMSRBNZ-UHFFFAOYSA-N- Molecular formula
- C14H17N5O
- Average molar mass
- 271.32 g/mol
Names & identifiers
- Preferred name
- 3-(1,4,Diazabicyclo[3.2.2]non-4-ylcarbonyl)-1h-pyrazolo[3,4-c]pyridine
- IUPAC
- 1,4-diazabicyclo[3.2.2]nonan-4-yl(1H-pyrazolo[5,4-c]pyridin-3-yl)methanone
Names & synonyms
SCHEMBL4234728AWLIQUHKMSRBNZ-UHFFFAOYSA-N3-(1,4,diazabicyclo[3.2.2]non-4-ylcarbonyl)-1h-pyrazolo[3,4-c]pyridine
Database identifiers
- PubChem CID
- 68968013
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
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