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Basic information
- Standard SMILES
Cc1cc(-c2cn(CCNCC(C)C)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F- InChIKey
DPTJVGTULVNDHT-UHFFFAOYSA-N- Molecular formula
- C26H35FN8O
- Average molar mass
- 494.6 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-carboxylic acid amide
- IUPAC
- 4-amino-6-[4-[4-(4-fluoro-3-methylphenyl)-1-[2-(2-methylpropylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carboxamide
Names & synonyms
CHEMBL3974261SCHEMBL14786591DPTJVGTULVNDHT-UHFFFAOYSA-NBDBM182691US9145392, 3924-Amino-6-{4-[4-(4-fluoro-3-methyl-phenyl)-1-(2-isobutylamino-ethyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carboxylic acid amide
Database identifiers
- PubChem CID
- 89445591
- ChEMBL
CHEMBL3974261
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 705
Related reactions
1 records
Compound notes
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