8-((4-fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline

ID: ALA3109343

Chembl Id: CHEMBL3109343

PubChem CID: 25094493

Max Phase: Preclinical

Molecular Formula: C25H27FN4O3

Molecular Weight: 450.51

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COCCOc1ccn2c(-c3ccc4cccc(OCC5(F)CCNCC5)c4n3)cnc2c1

Standard InChI:  InChI=1S/C25H27FN4O3/c1-31-13-14-32-19-7-12-30-21(16-28-23(30)15-19)20-6-5-18-3-2-4-22(24(18)29-20)33-17-25(26)8-10-27-11-9-25/h2-7,12,15-16,27H,8-11,13-14,17H2,1H3

Standard InChI Key:  OUJDQQBZGPBOKT-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3109343

   8-((4-Fluoropiperidin-4-yl)methoxy)-2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinoline

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: 450.51

Molecular Weight (Monoisotopic): 450.2067

AlogP: 4.05

#Rotatable Bonds: 8

Polar Surface Area: 69.91

Molecular Species: BASE

HBA: 7

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 9.82

CX LogP: 2.28

CX LogD: -0.09

Aromatic Rings: 4

Heavy Atoms: 33

QED Weighted: 0.41

Np Likeness Score: -0.87

References

1. Hicken EJ, Marmsater FP, Munson MC, Schlachter ST, Robinson JE, Allen S, Burgess LE, DeLisle RK, Rizzi JP, Topalov GT, Zhao Q, Hicks JM, Kallan NC, Tarlton E, Allen A, Callejo M, Cox A, Rana S, Klopfenstein N, Woessner R, Lyssikatos JP..  (2014)  Discovery of a Novel Class of Imidazo[1,2-a]Pyridines with Potent PDGFR Activity and Oral Bioavailability.,  5  (1): [PMID:24900776] [10.1021/ml4003953]

Source

Source(1):

• Scientific Literature