Basic information
- Standard SMILES
COC[C@H](C)OC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1cnc(C)cn1- InChIKey
MTSRTMWCLKHBTI-KXBFYZLASA-N- Molecular formula
- C23H24ClN7O4
- Average molar mass
- 497.9 g/mol
Names & identifiers
- Preferred name
- (2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-((S)-1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)propanamide
- IUPAC
- (2S)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-[(2S)-1-methoxypropan-2-yl]oxy-N-(5-methylpyrazin-2-yl)propanamide
Names & synonyms
SCHEMBL839147MTSRTMWCLKHBTI-KXBFYZLASA-N(2S)-2-(1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy)-3-((S)-1-methoxypropan-2-yloxy)-N-(5-methylpyrazin-2-yl)propanamide
Database identifiers
- PubChem CID
- 57504379
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 680
Related reactions
1 records
Compound notes
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