Name: 6-(4-fluorophenyl)-4-(furan-2-yl)-2-[3-(oxan-2-yloxy)propyl]-5-pyridin-4-ylpyrazolo[3,4-b]pyridine

SMILES: C1CCOC(C1)OCCCN2C=C3C(=C(C(=NC3=N2)C4=CC=C(C=C4)F)C5=CC=NC=C5)C6=CC=CO6

Molecular Processing

Molecular formula

C29H27FN4O3

Molecular weight

498.56

Exact mass

498.2067

XLogP

6.49

TPSA

75.2

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

0.276

Molar refractivity

138.01

Supplementary Information

InChIKey: GJUNLVWJMDKXER-UHFFFAOYSA-N

Synonyms

SCHEMBL2928707GJUNLVWJMDKXER-UHFFFAOYSA-N6-(4-Fluorophenyl)-4-(2-furyl)-5-(4-pyridyl)-2-[3-(tetrahydropyran-2-yloxy)propyl]pyrazolo[3,4-b]pyridine