CN1C=C(C=N1)C2=CC(=C(N=C2)NNC(=O)C(C3=CC4=CC(=CN=C4C=C3)OC)(F)F)F
CAS: 1151801-91-0
Nombre: 2,2-difluoro-N'-[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-(3-methoxyquinolin-6-yl)acetohydrazide
SMILES: CN1C=C(C=N1)C2=CC(=C(N=C2)NNC(=O)C(C3=CC4=CC(=CN=C4C=C3)OC)(F)F)F

Molecular Processing

Molecular formula
C21H17F3N6O2
Molecular weight
442.4
Exact mass
442.1365
XLogP
3.41
TPSA
93.96
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
110.35

Supplementary Information

InChIKey: KNRRFYAVDXZLGX-UHFFFAOYSA-N
Sinónimos
2,2-difluoro-N'-(3-fluoro-5-(1-methyl-1H-pyrazol-4-yl)pyridin-2-yl)-2-(3-methoxyquinolin-6-yl)acetohydrazideSCHEMBL2699171DTXSID2011093541151801-91-0I+/-,I+/--Difluoro-3-methoxy-6-quinolineacetic acid 2-[3-fluoro-5-(1-methyl-1H-pyrazol-4-yl)-2-pyridinyl]hydrazide
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