2-(1-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperidin-4-yl)acetamide
Basic information
- Standard SMILES
CC(=O)N1CCN(c2ccc(Nc3ncc(F)c(N4CCC(CC(N)=O)CC4)n3)cc2)CC1- InChIKey
OUNCMUFBHHDXDZ-UHFFFAOYSA-N- Molecular formula
- C23H30FN7O2
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- 2-(1-(2-(4-(4-Acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperidin-4-yl)acetamide
- IUPAC
- 2-[1-[2-[4-(4-acetylpiperazin-1-yl)anilino]-5-fluoropyrimidin-4-yl]piperidin-4-yl]acetamide
Names & synonyms
SCHEMBL1018938OUNCMUFBHHDXDZ-UHFFFAOYSA-N2-(1-(2-(4-(4-acetylpiperazin-1-yl)phenylamino)-5-fluoropyrimidin-4-yl)piperidin-4-yl)acetamide
Database identifiers
- PubChem CID
- 44467166
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 659
Related reactions
3 records
Compound notes
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