4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
Basic information
- Standard SMILES
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1- InChIKey
FECIECQDFIPTFY-UHFFFAOYSA-N- Molecular formula
- C24H26ClFN8
- Average molar mass
- 481 g/mol
Names & identifiers
- Preferred name
- 4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-6-[4-[1-[2-(azetidin-1-yl)ethyl]-4-(3-chloro-4-fluorophenyl)imidazol-2-yl]piperidin-1-yl]pyrimidine-5-carbonitrile
Names & synonyms
CHEMBL3940867SCHEMBL14786335FECIECQDFIPTFY-UHFFFAOYSA-NBDBM182374US9145392, 754-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(3-chloro-4-fluoro-phenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile4-Amino-6-{4-[1-(2-azetidin-1-yl-ethyl)-4-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 89445381
- ChEMBL
CHEMBL3940867
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 723
Related reactions
2 records
Compound notes
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