Basic information
- CAS
875898-92-3- Standard SMILES
Cc1ccc(Cc2nc([C@H]3CC[C@H](Nc4ncnc5[nH]ncc45)C3)no2)cc1- InChIKey
WXOOVRWWJJUPFV-GJZGRUSLSA-N- Molecular formula
- C20H21N7O
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.18075832
Names & identifiers
- Preferred name
- N-{(1S,3S)-3-[5-(4-methylbenzyl)-1,2,4-oxadiazol-3-yl]cyclopentyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
- IUPAC
- N-[(1S,3S)-3-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL5659206WXOOVRWWJJUPFV-GJZGRUSLSA-NDTXSID501108543875898-92-3N-{(1S,3S)-3-[5-(4-methylbenzyl)-1,2,4-oxadiazol-3-yl]cyclopentyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amineN-[(1S,3S)-3-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Database identifiers
- CAS
875898-92-3- PubChem CID
- 11639404
- DTXSID
DTXSID501108543
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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