Basic information
- Standard SMILES
COc1cccc(-c2cc(F)ccc2[C@H]2Cc3nc(N)nc(C)c3/C(=N/O[C@@H](CCO)C(=O)N(C)C)N2)n1- InChIKey
DRQRNJQGXVDZBU-CTNGQTDRSA-N- Molecular formula
- C26H30FN7O4
- Average molar mass
- 523.6 g/mol
- Monoisotopic mass
- 523.23433063
Names & identifiers
- Preferred name
- (S)-2-((Z)-((R)-2-amino-7-(4-fluoro-2-(6-methoxypyridin-2-yl)phenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-ylidene)aminooxy)-4-hydroxy-N,N-dimethylbutanamide
- IUPAC
- (2S)-2-[[(7R)-2-amino-7-[4-fluoro-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5-yl]amino]oxy-4-hydroxy-N,N-dimethylbutanamide
Names & synonyms
SCHEMBL1526108SCHEMBL1526110CHEMBL3675271DRQRNJQGXVDZBU-CTNGQTDRSA-NBDBM110230US8618290, 93(S)-2-((Z)-((R)-2-amino-7-(4-fluoro-2-(6-methoxypyridin-2-yl)phenyl)-4-methyl-7,8-dihydropyrido[4,3-d]pyrimidin-5(6H)-ylidene)aminooxy)-4-hydroxy-N,N-dimethylbutanamide
Database identifiers
- PubChem CID
- 57999272
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 820
Related reactions
2 records
Compound notes
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