이름: cis-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid {3-(5-chloro-2-difluoromethoxyphenyl)1-[2-(5-methylhexahydropyrrolo[3,4-c]pyrrol-2-yl)-2-oxoethyl]-1H-pyrazol-4-yl}amide
SMILES:
CN1C[C@@H]2CN(C(=O)Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)C[C@@H]2C1Molecular Processing
Molecular formula
C26H25ClF2N8O3
Molecular weight
570.99
Exact mass
570.1706
XLogP
3.12
TPSA
109.89
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
40
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
0.346
Molar refractivity
141.3
Supplementary Information
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