Basic information
- Standard SMILES
Cc1cccc2cc([C@H](C)Nc3ncnc4c3ncn4C3CCCCO3)n(C3CC3)c(=O)c12- InChIKey
YGWYGHBTSNJVTQ-DJZRFWRSSA-N- Molecular formula
- C25H28N6O2
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.22737416
Names & identifiers
- Preferred name
- 2-cyclopropyl-8-methyl-3-((1S)-1-(9-(tetrahydro-2H-Pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
- IUPAC
- 2-cyclopropyl-8-methyl-3-[(1S)-1-[[9-(oxan-2-yl)purin-6-yl]amino]ethyl]isoquinolin-1-one
Names & synonyms
SCHEMBL4412956YGWYGHBTSNJVTQ-DJZRFWRSSA-N2-cyclopropyl-8-methyl-3-((1S)-1-(9-(tetrahydro-2H-Pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1 (2H)-one2-cyclopropyl-8-methyl-3-((1S)-1-(9-(tetrahydro-2H-Pyran-2-yl)-9H-purin-6-ylamino)ethyl)isoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 58008983
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 772
Related reactions
7 records
Compound notes
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