6-fluoro-2-methyl-4-[7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline

ID: ALA4759531

PubChem CID: 162658269

Max Phase: Preclinical

Molecular Formula: C28H26FN5

Molecular Weight: 451.55

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1cc(-c2cnc3cc(-c4ccc(N5CCN(C)CC5)cc4)ccn23)c2cc(F)ccc2n1

Standard InChI:  InChI=1S/C28H26FN5/c1-19-15-25(24-17-22(29)5-8-26(24)31-19)27-18-30-28-16-21(9-10-34(27)28)20-3-6-23(7-4-20)33-13-11-32(2)12-14-33/h3-10,15-18H,11-14H2,1-2H3

Standard InChI Key:  DFQZCTKEPHHJJW-UHFFFAOYSA-N

Molfile:  

 
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M  END

Alternative Forms

1. Parent:

   

   ALA4759531

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 451.55

Molecular Weight (Monoisotopic): 451.2172

AlogP: 5.42

#Rotatable Bonds: 3

Polar Surface Area: 36.67

Molecular Species: NEUTRAL

HBA: 5

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 5

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 7.88

CX LogP: 4.36

CX LogD: 3.75

Aromatic Rings: 5

Heavy Atoms: 34

QED Weighted: 0.37

Np Likeness Score: -1.42

References

1. Engers DW,Bollinger SR,Felts AS,Vadukoot AK,Williams CH,Blobaum AL,Lindsley CW,Hong CC,Hopkins CR.  (2020)  Discovery, synthesis and characterization of a series of 7-aryl-imidazo[1,2-a]pyridine-3-ylquinolines as activin-like kinase (ALK) inhibitors.,  30  (18): [PMID:32750526] [10.1016/j.bmcl.2020.127418]

Source

Source(1):

• Scientific Literature