5-(2-FIuoro-4-methanesuIfonylphenyl)-2-[1-(2-fluoro-2-methylpropyl)-piperidin-4-yl]furo[2,3-c]pyridine

ID: ALA3715018

Chembl Id: CHEMBL3715018

PubChem CID: 71736722

Max Phase: Preclinical

Molecular Formula: C23H26F2N2O3S

Molecular Weight: 448.54

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)(F)CN1CCC(c2cc3cc(-c4ccc(S(C)(=O)=O)cc4F)ncc3o2)CC1

Standard InChI:  InChI=1S/C23H26F2N2O3S/c1-23(2,25)14-27-8-6-15(7-9-27)21-11-16-10-20(26-13-22(16)30-21)18-5-4-17(12-19(18)24)31(3,28)29/h4-5,10-13,15H,6-9,14H2,1-3H3

Standard InChI Key:  PLINLVDNVSXGNS-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3715018

   5-(2-Fluoro-4-methanesulfonyl-phenyl)-2-[1-(2-fluoro-2-methyl-propyl)-piperidin-4-yl]-furo[2,3-c]pyridine

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 448.54

Molecular Weight (Monoisotopic): 448.1632

AlogP: 4.96

#Rotatable Bonds: 5

Polar Surface Area: 63.41

Molecular Species: NEUTRAL

HBA: 5

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 8.11

CX LogP: 3.16

CX LogD: 2.38

Aromatic Rings: 3

Heavy Atoms: 31

QED Weighted: 0.55

Np Likeness Score: -1.12

References

1.  (2015)  Furo [2,3-c]pyridines actives on gpr 119, 

Source

Source(1):

• Patent Bioactivity Data