3-(4-Amino-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-5-yl)-benzonitrile
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Basic information
- Standard SMILES
Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2cccc(C#N)c2)CC1- InChIKey
UUHAJBVAHFVAPV-UHFFFAOYSA-N- Molecular formula
- C27H23F4N7
- Average molar mass
- 521.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-Amino-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-5-yl)-benzonitrile
- IUPAC
- 3-[4-amino-6-[4-[4-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylimidazol-2-yl]piperidin-1-yl]pyrimidin-5-yl]benzonitrile
Names & synonyms
3-(4-Amino-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-5-yl)-benzonitrileCHEMBL3909655SCHEMBL14786339BDBM182314US9145392, 15
Database identifiers
- PubChem CID
- 89445384
- ChEMBL
CHEMBL3909655
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 841
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Related reactions
1 records
Compound notes
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