Basic information
- Standard SMILES
C#Cc1cccc(-c2cc3nccc(N[C@@H]4C[C@H](CO)[C@H]5OC(C)(C)O[C@H]54)n3n2)c1- InChIKey
ZORFRGSBACRVSP-VZVVXEKASA-N- Molecular formula
- C23H24N4O3
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- (rac)-rel-[(3aR,4R,6R,6aS)-6-{[2-(3-ethynylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
- IUPAC
- [(3aS,4R,6R,6aR)-4-[[2-(3-ethynylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]methanol
Names & synonyms
SCHEMBL15192103ZORFRGSBACRVSP-VZVVXEKASA-N(rac)-rel-[(3aR,4R,6R,6aS)-6-{[2-(3-ethynylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino}-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
Database identifiers
- PubChem CID
- 89754375
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 679
Related reactions
1 records
Compound notes
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