Название: 6-[difluoro-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinolin-3-ol

SMILES: CN1C=C(C=N1)C2=CN3C(=NN=C3C(C4=CC5=CC(=CN=C5C=C4)O)(F)F)C(=C2)F

Molecular Processing

Molecular formula

C20H13F3N6O

Molecular weight

410.36

Exact mass

410.1103

XLogP

3.66

TPSA

81.13

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.1

Molar refractivity

101.55

Supplementary Information

InChIKey: GXFPVRMDTSJJRG-UHFFFAOYSA-N

Синонимы

6-(difluoro(8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinolin-3-olSCHEMBL2697989