6-2,8-di([1,1'-biphenyl]-4-yl)-6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine

ID: ALA4251439

Chembl Id: CHEMBL4251439

PubChem CID: 145982902

Max Phase: Preclinical

Molecular Formula: C37H33N3

Molecular Weight: 519.69

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1CCN(c2cc(-c3ccc(-c4ccccc4)cc3)c3nc(-c4ccc(-c5ccccc5)cc4)cn3c2)CC1

Standard InChI:  InChI=1S/C37H33N3/c1-27-20-22-39(23-21-27)34-24-35(32-16-12-30(13-17-32)28-8-4-2-5-9-28)37-38-36(26-40(37)25-34)33-18-14-31(15-19-33)29-10-6-3-7-11-29/h2-19,24-27H,20-23H2,1H3

Standard InChI Key:  FBCRTGNQQCEZCY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4251439

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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: 519.69

Molecular Weight (Monoisotopic): 519.2674

AlogP: 9.24

#Rotatable Bonds: 5

Polar Surface Area: 20.54

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: 2

HBA (Lipinski): 3

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 2

CX Acidic pKa: ┄

CX Basic pKa: 6.12

CX LogP: 8.98

CX LogD: 8.96

Aromatic Rings: 6

Heavy Atoms: 40

QED Weighted: 0.23

Np Likeness Score: -0.70

References

1. Güçlü D, Kuzu B, Tozlu İ, Taşpınar F, Canpınar H, Taşpınar M, Menges N..  (2018)  Synthesis of novel imidazopyridines and their biological evaluation as potent anticancer agents: A promising candidate for glioblastoma.,  28  (15): [PMID:30042044] [10.1016/j.bmcl.2018.06.033]

Source

Source(1):

• Scientific Literature