(S)-4-Amino-6-((1-(6-fluoro-1-(5-fluoropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1- InChIKey
QLWGSXWLXIBFPF-JTQLQIEISA-N- Molecular formula
- C19H14F2N8
- Average molar mass
- 392.4 g/mol
Names & identifiers
- Preferred name
- (S)-4-Amino-6-((1-(6-fluoro-1-(5-fluoropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)ethyl)amino)pyrimidine-5-carbonitrile
- IUPAC
- 4-amino-6-[[(1S)-1-[6-fluoro-1-(5-fluoro-3-pyridinyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
1338483-10-5(S)-4-Amino-6-((1-(6-fluoro-1-(5-fluoropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)ethyl)amino)pyrimidine-5-carbonitrileCHEMBL47543824-amino-6-[[(1S)-1-[6-fluoro-1-(5-fluoropyridin-3-yl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrileorb1738537SCHEMBL2504908QLWGSXWLXIBFPF-JTQLQIEISA-NBDBM50557968HY-118374(S)-4-amino-6-(1-(6-fluoro-1-(5-fluoropyridin-3-yl)-1H-benzo[d]imidazol-2-yl)ethylamino)pyrimidine-5-carbonitrile4-Amino-6-{(S)-1-[6-fluoro-1-(5-fluoro-pyridin-3-yl)-1H-benzoimidazol-2-yl]-ethylamino}-pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 58459115
- ChEMBL
CHEMBL4754382- Nikkaji
- J3.603.131J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 614
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…