Name: tert-butyl 4-[4-([3-[5-chloro-2-(difluoromethoxy)phenyl]-4-[pyrazolo[1,5-a]pyrimidine-3-amido]-1H-pyrazol-1-yl]methyl)-1H-1,2,3-triazol-1-yl]piperidine-1-carboxylate
SMILES:
CC(C)(C)OC(=O)N1CCC(n2cc(Cn3cc(NC(=O)c4cnn5cccnc45)c(-c4cc(Cl)ccc4OC(F)F)n3)nn2)CC1Molecular Processing
Molecular formula
C30H31ClF2N10O4
Molecular weight
669.09
Exact mass
668.2186
XLogP
5.31
TPSA
146.59
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
47
Rings
6
Aromatic rings
5
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.367
Molar refractivity
165.45
Supplementary Information
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