ipatasertib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 34
Total Number of Articles : 48
PubChem 24788740
Molecular Formula

C24H32ClN5O2

SMILES

C[C@@H]1C[C@H](C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](CNC(C)C)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C24H32ClN5O2/c1-15(2)26-13-19(17-4-6-18(25)7-5-17)24(32)30-10-8-29(9-11-30)23-21-16(3)12-20(31)22(21)27-14-28-23/h4-7,14-16,19-20,26,31H,8-13H2,1-3H3/t16-,19-,20-/m1/s1

synonyms
  • Ipatasertib
  • 1001264-89-6
  • GDC-0068
Click to show/hide the synonyms
Properties
Property Value
MW 458.0 g/mol
HBD 2
HBA 6
Rotatable Bond Count 6
Exact Mass 457.2244530 g/mol
Monoisotopic Mass 457.2244530 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 622
xlogp 2.5
Topological Polar Surface Area 81.6