Basic information
- Standard SMILES
COc1nccc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cc12- InChIKey
PASZXIBACDWQPJ-UHFFFAOYSA-N- Molecular formula
- C32H30N8O
- Average molar mass
- 542.6 g/mol
Names & identifiers
- Preferred name
- 1-{1-[4-(5-Methoxy-3-phenyl-1,6-naphthyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-[1-[[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)phenyl]methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL1501764PASZXIBACDWQPJ-UHFFFAOYSA-N1-{1-[4-(5-methoxy-3-phenyl-1,6-naphthyridin-2-yl)benzyl]-piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-{1-[4-(5-Methoxy-3-phenyl-1,6-naphthyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 59846151
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 827
Related reactions
4 records
Compound notes
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