3-(2-(7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl)quinolin-8-yloxy)-2,2-dimethylpropan-1-amine

ID: ALA3109339

Chembl Id: CHEMBL3109339

PubChem CID: 25098154

Max Phase: Preclinical

Molecular Formula: C24H28N4O3

Molecular Weight: 420.51

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1

Standard InChI:  InChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3

Standard InChI Key:  OEQLYHXNGSLNQN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3109339

   3-[2-[7-(2-Methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine

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: 420.51

Molecular Weight (Monoisotopic): 420.2161

AlogP: 3.94

#Rotatable Bonds: 9

Polar Surface Area: 83.90

Molecular Species: BASE

HBA: 7

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 9.65

CX LogP: 2.74

CX LogD: 0.55

Aromatic Rings: 4

Heavy Atoms: 31

QED Weighted: 0.41

Np Likeness Score: -1.10

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