Basic information
- Standard SMILES
COc1ccc(F)cc1C(=O)c1cnc(NC2CCN(S(=O)(=O)CCCN3CCN(C)CC3)CC2)nc1N- InChIKey
GOZIPYFFQQSAGJ-UHFFFAOYSA-N- Molecular formula
- C25H36FN7O4S
- Average molar mass
- 549.7 g/mol
Names & identifiers
- Preferred name
- (4-Amino-2-[1-[3-(4-methyl-piperazin-1-yl)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone
- IUPAC
- [4-amino-2-[[1-[3-(4-methylpiperazin-1-yl)propylsulfonyl]piperidin-4-yl]amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
Names & synonyms
SCHEMBL4350970GOZIPYFFQQSAGJ-UHFFFAOYSA-N(4-amino-2-[1-[3-(4-methyl-piperazin-1-yl)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 58777612
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 862
Related reactions
3 records
Compound notes
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