Basic information
- Standard SMILES
C[C@@H]1CN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)[C@@H](C)CN1C1COC1- InChIKey
XYJNROSPKSAWFD-UONOGXRCSA-N- Molecular formula
- C20H26BrN5O2
- Average molar mass
- 448.4 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-3-(5-((2S,5R)-2,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)-pyridin-2-ylamino)-1-methylpyridin-2(1H)-one
- IUPAC
- 5-bromo-3-[[5-[(2S,5R)-2,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]-1-methylpyridin-2-one
Names & synonyms
SCHEMBL14912260SCHEMBL29742091XYJNROSPKSAWFD-UONOGXRCSA-N5-Bromo-3-(5-((2S,5R)-2,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)-pyridin-2-ylamino)-1-methylpyridin-2(1H)-one5-Bromo-3-(5-((2S,5R)-2,5-dimethyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one
Database identifiers
- PubChem CID
- 86683706
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 60.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 665
Related reactions
12 records
Compound notes
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