Basic information
- Standard SMILES
COCC(C)NCCCS(=O)(=O)N1CCC(Nc2ncc(C(=O)c3cc(F)ccc3OC)c(N)n2)CC1- InChIKey
FXEULMLEXPNSIX-UHFFFAOYSA-N- Molecular formula
- C24H35FN6O5S
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- (4-Amino-2-[1-[3-(2-methoxy-1-methyl-ethylamino)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone
- IUPAC
- [4-amino-2-[[1-[3-(1-methoxypropan-2-ylamino)propylsulfonyl]piperidin-4-yl]amino]pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
Names & synonyms
SCHEMBL4355785FXEULMLEXPNSIX-UHFFFAOYSA-N(4-Amino-2-[1-[3-(2-methoxy-1-methyl-ethylamino)-propane-1-sulfonyl]-piperidin-4-ylamino]-pyrimidin-5-yl)-(5-fluoro-2-methoxy-phenyl)-methanone
Database identifiers
- PubChem CID
- 58777670
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 810
Related reactions
3 records
Compound notes
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