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Basic information
- Standard SMILES
Cc1cc(-c2cn(CCNCC(C)C)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F- InChIKey
GVXVELAMVOVTAS-UHFFFAOYSA-N- Molecular formula
- C26H33FN8
- Average molar mass
- 476.6 g/mol
Names & identifiers
- Preferred name
- 4-Amino-6-{4-[4-(4-fluoro-3-methyl-phenyl)-1-(2-isobutylamino-ethyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-(2-methylpropylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
Names & synonyms
CHEMBL3954981SCHEMBL14786329GVXVELAMVOVTAS-UHFFFAOYSA-NBDBM182689US9145392, 3904-Amino-6-{4-[4-(4-fluoro-3-methyl-phenyl)-1-(2-isobutylamino-ethyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 89445375
- ChEMBL
CHEMBL3954981
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 705
Related reactions
2 records
Compound notes
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