Name: 4-{3-Methyl-4-[2,2,5,5-tetramethyl-4-(3,3,3-trifluoro-propyl)-piperazin-1-ylmethyl]-1H-pyrazolo[3,4-b]pyridin-6-yl}-phenol
SMILES:
Cc1n[nH]c2nc(-c3ccc(O)cc3)cc(CN3CC(C)(C)N(CCC(F)(F)F)CC3(C)C)c12Molecular Processing
Molecular formula
C25H32F3N5O
Molecular weight
475.56
Exact mass
475.2559
XLogP
5.27
TPSA
68.28
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.52
Molar refractivity
126.54
Supplementary Information
Details werden geladen…
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