Basic information
- Standard SMILES
C[C@](O)(C#Cc1ccc2c(C(=O)N3CCOCC3)nn(-c3ccnc(N)n3)c2c1)c1ncccn1- InChIKey
UMROJFDHYMRDOM-DEOSSOPVSA-N- Molecular formula
- C24H22N8O3
- Average molar mass
- 470.5 g/mol
Names & identifiers
- Preferred name
- (2S)-4-[1-(2-aminopyrimidin-4-yl)-3-[(morpholin-4-yl)carbonyl]-1H-indazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
- IUPAC
- [1-(2-aminopyrimidin-4-yl)-6-[(3S)-3-hydroxy-3-pyrimidin-2-ylbut-1-ynyl]indazol-3-yl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL11970739UMROJFDHYMRDOM-DEOSSOPVSA-N(2S)-4-[1-(2-aminopyrimidin-4-yl)-3-[(morpholin-4-yl)carbonyl]-1H-indazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
Database identifiers
- PubChem CID
- 68181727
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 820
Related reactions
1 records
Compound notes
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