6-(4-methylpiperidin-1-yl)-2,8-diphenylimidazo[1,2-a]pyridine

ID: ALA4239300

Chembl Id: CHEMBL4239300

PubChem CID: 145984685

Max Phase: Preclinical

Molecular Formula: C25H25N3

Molecular Weight: 367.50

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1CCN(c2cc(-c3ccccc3)c3nc(-c4ccccc4)cn3c2)CC1

Standard InChI:  InChI=1S/C25H25N3/c1-19-12-14-27(15-13-19)22-16-23(20-8-4-2-5-9-20)25-26-24(18-28(25)17-22)21-10-6-3-7-11-21/h2-11,16-19H,12-15H2,1H3

Standard InChI Key:  ZMLDNJNPCKLPTJ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4239300

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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: 367.50

Molecular Weight (Monoisotopic): 367.2048

AlogP: 5.90

#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: 5.69

CX LogD: 5.66

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.45

Np Likeness Score: -0.96

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