이름: cis-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {3-(5-chloro-2-difluoromethoxyphenyl)-1-[2-(hexahydropyrrolo[3,4-c]pyrrol-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}amide
SMILES:
O=C(Nc1cn(CC(=O)N2C[C@H]3CNC[C@H]3C2)nc1-c1cc(Cl)ccc1OC(F)F)c1cnn2cccnc12Molecular Processing
Molecular formula
C25H23ClF2N8O3
Molecular weight
556.96
Exact mass
556.155
XLogP
2.78
TPSA
118.68
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
39
Rings
6
Aromatic rings
4
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
136.67
Supplementary Information
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