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

ID: ALA4245006

Chembl Id: CHEMBL4245006

PubChem CID: 145985047

Max Phase: Preclinical

Molecular Formula: C33H29N3

Molecular Weight: 467.62

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1CCN(c2cc(-c3ccc4ccccc4c3)c3nc(-c4ccc5ccccc5c4)cn3c2)CC1

Standard InChI:  InChI=1S/C33H29N3/c1-23-14-16-35(17-15-23)30-20-31(28-12-10-24-6-2-4-8-26(24)18-28)33-34-32(22-36(33)21-30)29-13-11-25-7-3-5-9-27(25)19-29/h2-13,18-23H,14-17H2,1H3

Standard InChI Key:  IKZIOBHJALXEDP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4245006

   ---

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: 467.62

Molecular Weight (Monoisotopic): 467.2361

AlogP: 8.21

#Rotatable Bonds: 3

Polar Surface Area: 20.54

Molecular Species: NEUTRAL

HBA: 3

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 3

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 6.12

CX LogP: 7.66

CX LogD: 7.64

Aromatic Rings: 6

Heavy Atoms: 36

QED Weighted: 0.26

Np Likeness Score: -0.71

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