2-(6,8-Dichloro-2-phenyl-imidazo[1,2-a]pyridin-3-yl)-1-piperidin-1-yl-ethanone

ID: ALA363217

Chembl Id: CHEMBL363217

Cas Number: 832076-50-3

PubChem CID: 11338217

Max Phase: Preclinical

Molecular Formula: C20H19Cl2N3O

Molecular Weight: 388.30

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=C(Cc1c(-c2ccccc2)nc2c(Cl)cc(Cl)cn12)N1CCCCC1

Standard InChI:  InChI=1S/C20H19Cl2N3O/c21-15-11-16(22)20-23-19(14-7-3-1-4-8-14)17(25(20)13-15)12-18(26)24-9-5-2-6-10-24/h1,3-4,7-8,11,13H,2,5-6,9-10,12H2

Standard InChI Key:  GCHVEEZKDIOEEW-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA363217

   2-(6,8-Dichloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-piperidin-1-ylethanone

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: 388.30

Molecular Weight (Monoisotopic): 387.0905

AlogP: 4.86

#Rotatable Bonds: 3

Polar Surface Area: 37.61

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 4.16

CX LogP: 4.05

CX LogD: 4.05

Aromatic Rings: 3

Heavy Atoms: 26

QED Weighted: 0.64

Np Likeness Score: -1.54

References

1. Trapani G, Laquintana V, Denora N, Trapani A, Lopedota A, Latrofa A, Franco M, Serra M, Pisu MG, Floris I, Sanna E, Biggio G, Liso G..  (2005)  Structure-activity relationships and effects on neuroactive steroid synthesis in a series of 2-phenylimidazo[1,2-a]pyridineacetamide peripheral benzodiazepine receptors ligands.,  48  (1): [PMID:15634024] [10.1021/jm049610q]

Source

Source(1):

• Scientific Literature