Nom: 1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

SMILES: C1=CC(=CC(=C1)F)CN2C(=CC3=CC(=CN=C32)C(F)(F)F)C(=O)N

Molecular Processing

Molecular formula

C16H11F4N3O

Molecular weight

337.28

Exact mass

337.0838

XLogP

3.34

TPSA

60.91

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

0.125

Molar refractivity

78.75

Supplementary Information

InChIKey: NXHYDUQZBSDCPA-UHFFFAOYSA-N

Synonymes

5-trifluoromethyl-1-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamideSCHEMBL975362