Nom: 1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxylic acid

SMILES: C1CN(CC1C(=O)O)C2=CN=C3C(=N2)N(N=N3)CC4=CC5=C(C=C4)N=CC=C5

Molecular Processing

Molecular formula

C19H17N7O2

Molecular weight

375.39

Exact mass

375.1444

XLogP

1.73

TPSA

109.92

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

0.263

Molar refractivity

101.92

Supplementary Information

InChIKey: SRMFTQYRAMBTKX-UHFFFAOYSA-N

Synonymes

SCHEMBL2572619SRMFTQYRAMBTKX-UHFFFAOYSA-N1-[1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]pyrrolidine-3-carboxylic acid