Name: 3-((4-Amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-2-isopropyl-8-methylisoquinolin-1(2H)-one
SMILES:
Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C(C)C)c(=O)c12Molecular Processing
Molecular formula
C19H19IN6O
Molecular weight
474.31
Exact mass
474.0665
XLogP
3.27
TPSA
91.62
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
27
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
114.88
Supplementary Information
Details werden geladen…
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