Name: 6-(4-benzyloxy-2-fluoro-phenyl)-3-methyl-1-(tetrahydro-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILES:
Cc1nn(C2CCCCO2)c2nc(-c3ccc(OCc4ccccc4)cc3F)cc(C(=O)O)c12Molecular Processing
Molecular formula
C26H24FN3O4
Molecular weight
461.49
Exact mass
461.1751
XLogP
5.52
TPSA
86.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
34
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.269
Molar refractivity
124.23
Supplementary Information
Details werden geladen…
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