Basic information
- Standard SMILES
CC(O)(C#Cc1ccc2c(C(=O)N3CC4(COC4)C3)nn(-c3ccnc(N)n3)c2c1)c1ncccn1- InChIKey
YJMHGZJNCVYQSZ-UHFFFAOYSA-N- Molecular formula
- C25H22N8O3
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.18148659
Names & identifiers
- Preferred name
- 4-[1-(2-aminopyrimidin-4-yl)-3-({2-oxa-6-azaspiro[3.3]heptan-6-yl}carbonyl)-1H-indazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
- IUPAC
- [1-(2-aminopyrimidin-4-yl)-6-(3-hydroxy-3-pyrimidin-2-ylbut-1-ynyl)indazol-3-yl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
Names & synonyms
SCHEMBL11970823YJMHGZJNCVYQSZ-UHFFFAOYSA-N4-[1-(2-aminopyrimidin-4-yl)-3-({2-oxa-6-azaspiro[3.3]heptan-6-yl}carbonyl)-1H-indazol-6-yl]-2-(pyrimidin-2-yl)but-3-yn-2-ol
Database identifiers
- PubChem CID
- 68181778
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 903
Related reactions
1 records
Compound notes
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