Name: 1-(1,4-dioxaspiro[4.5]dec-8-yl)-3-[4-(2-pyrimidinyloxy)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES:
Nc1ncnc2c1c(-c1ccc(Oc3ncccn3)cc1)nn2C1CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C23H23N7O3
Molecular weight
445.48
Exact mass
445.1862
XLogP
3.52
TPSA
123.09
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
33
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.348
Molar refractivity
119.42
Supplementary Information
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Involved in 6 reactions→