Name: benzyl (4S)-1-(6-(5-(pyridin-3-yl)-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)azepan-4-ylcarbamate
SMILES:
O=C(N[C@H]1CCCN(c2cccc(-c3nn(C4CCCCO4)c4cnc(-c5cccnc5)cc34)n2)CC1)OCc1ccccc1Molecular Processing
Molecular formula
C35H37N7O3
Molecular weight
603.73
Exact mass
603.2958
XLogP
6.54
TPSA
107.29
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
45
Rings
7
Aromatic rings
5
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.343
Molar refractivity
172.44
Supplementary Information
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