Basic information
- Standard SMILES
CS(=O)(=O)CCNc1nccn2c(-c3ccnc(NC4CCC(O)CC4)n3)cnc12- InChIKey
STMMWUPXOCRFKU-UHFFFAOYSA-N- Molecular formula
- C19H25N7O3S
- Average molar mass
- 431.5 g/mol
- Monoisotopic mass
- 431.17395886
Names & identifiers
- Preferred name
- 4-{4-[8-(2-Methanesulfonyl-ethylamino)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-ylamino}-cyclohexanol
- IUPAC
- 4-[[4-[8-(2-methylsulfonylethylamino)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
Names & synonyms
SCHEMBL12272756SCHEMBL12522903STMMWUPXOCRFKU-UHFFFAOYSA-N4-{4-[8-(2-Methanesulfonyl-ethylamino)-imidazo[1,2-a]pyrazin-3-yl]-pyrimidin-2-ylamino}-cyclohexanol
Database identifiers
- PubChem CID
- 66548262
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
Loading…