PDB

1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one



Chemical Component Summary

Name1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Identifiers1-(2-chlorophenyl)-6-[(2R)-3,3,3-tris(fluoranyl)-2-methyl-propyl]-7H-pyrazolo[3,4-d]pyrimidin-4-one
FormulaC15 H12 Cl F3 N4 O
Molecular Weight356.73
TypeNON-POLYMER
Isomeric SMILESC[C@H](CC1=NC(=O)c2cnn(c2N1)c3ccccc3Cl)C(F)(F)F
InChIInChI=1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
InChIKeyFFPXPXOAFQCNBS-MRVPVSSYSA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count38
Aromatic Bond Count11

Related Resource References

Resource NameReference
Pharos CHEMBL1513993
PubChem 135541419
ChEMBL CHEMBL1513993