Name: 1-{4-[6-(2-Fluoro-4-hydroxy-phenyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-4-ylmethyl]-2,2,5,5-tetramethyl-piperazin-1-yl}-2-methoxy-ethanone
SMILES:
COCC(=O)N1CC(C)(C)N(Cc2cc(-c3ccc(O)cc3F)nc3[nH]nc(C)c23)CC1(C)CMolecular Processing
Molecular formula
C25H32FN5O3
Molecular weight
469.56
Exact mass
469.2489
XLogP
3.63
TPSA
94.58
H-bond donors
2
H-bond acceptors
6
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
0.48
Molar refractivity
127.84
Supplementary Information
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