Basic information
- Standard SMILES
Cn1c(C(C)(C)O)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc21- InChIKey
XHVHZFXNUIYBBO-UHFFFAOYSA-N- Molecular formula
- C20H23N7O2
- Average molar mass
- 393.4 g/mol
Names & identifiers
- Preferred name
- 2-(2-(1H-indazol-4-yl)-9-methyl-6-morpholino-9H-purin-8-yl)propan-2-ol
- IUPAC
- 2-[2-(1H-indazol-4-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]propan-2-ol
Names & synonyms
SCHEMBL1114363XHVHZFXNUIYBBO-UHFFFAOYSA-N2-(2-(1H-indazol-4-yl)-9-methyl-6-morpholino-9H-purin-8-yl)propan-2-ol
Database identifiers
- PubChem CID
- 44543769
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 587
Related reactions
3 records
Compound notes
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