Basic information
- Standard SMILES
COc1cc(C#Cc2nn(C3CNC3)c3ncnc(N)c23)cc(OC)c1- InChIKey
CICMRNASUVMHKK-UHFFFAOYSA-N- Molecular formula
- C18H18N6O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.14912384
Names & identifiers
- Preferred name
- 1-(azetidin-3-y)-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- 1-(azetidin-3-yl)-3-[2-(3,5-dimethoxyphenyl)ethynyl]pyrazolo[3,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL15345799CICMRNASUVMHKK-UHFFFAOYSA-NDB-1316361-(3-Azetidinyl)-3-[2-(3,5-dimethoxyphenyl)ethynyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(azetidin-3-y)-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1-(azetidin-3-yl)-3-((3,5-dimethoxyphenyl)ethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine1448170-57-7
Database identifiers
- PubChem CID
- 89871065
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
1 records
Compound notes
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