Imidazo[1,2-a]pyridin-3-yl(2-morpholino-4-phenylthiazol-5-yl)methanone

ID: ALA4214832

Chembl Id: CHEMBL4214832

PubChem CID: 145972518

Max Phase: Preclinical

Molecular Formula: C21H18N4O2S

Molecular Weight: 390.47

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(c1sc(N2CCOCC2)nc1-c1ccccc1)c1cnc2ccccn12

Standard InChI:  InChI=1S/C21H18N4O2S/c26-19(16-14-22-17-8-4-5-9-25(16)17)20-18(15-6-2-1-3-7-15)23-21(28-20)24-10-12-27-13-11-24/h1-9,14H,10-13H2

Standard InChI Key:  GBPLYOGNUSFBQU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4214832

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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: 390.47

Molecular Weight (Monoisotopic): 390.1150

AlogP: 3.53

#Rotatable Bonds: 4

Polar Surface Area: 59.73

Molecular Species: NEUTRAL

HBA: 7

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 4.54

CX LogP: 3.54

CX LogD: 3.54

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.50

Np Likeness Score: -2.01

References

1. Vasu KK, Digwal CS, Pandya AN, Pandya DH, Sharma JA, Patel S, Agarwal M..  (2017)  Imidazo[1,2-a]pyridines linked with thiazoles/thiophene motif through keto spacer as potential cytotoxic agents and NF-κB inhibitors.,  27  (24): [PMID:29138027] [10.1016/j.bmcl.2017.10.060]

Source

Source(1):

• Scientific Literature