Name: 3-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]benzoic acid

SMILES: C1CN(C2=C(N1)N=CC(=C2)C3=CC(=CC=C3)C(=O)O)CC4=C(C=CC(=C4)Cl)C(F)(F)F

Molecular Processing

Molecular formula

C22H17ClF3N3O2

Molecular weight

447.84

Exact mass

447.0961

XLogP

5.55

TPSA

65.46

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

0.182

Molar refractivity

112.63

Supplementary Information

InChIKey: FXRCFFALUXCHMV-UHFFFAOYSA-N

Synonyme

3-{1-[5-chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-yl}benzoic acidSCHEMBL1602175