4-(3-Phenyl-imidazo[1,2-a]pyridin-7-yl)-1-(3-piperidin-1-yl-propyl)-1H-pyridin-2-one

ID: ALA435702

Chembl Id: CHEMBL435702

PubChem CID: 5329351

Max Phase: Preclinical

Molecular Formula: C26H28N4O

Molecular Weight: 412.54

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  O=c1cc(-c2ccn3c(-c4ccccc4)cnc3c2)ccn1CCCN1CCCCC1

Standard InChI:  InChI=1S/C26H28N4O/c31-26-19-23(10-16-29(26)15-7-14-28-12-5-2-6-13-28)22-11-17-30-24(20-27-25(30)18-22)21-8-3-1-4-9-21/h1,3-4,8-11,16-20H,2,5-7,12-15H2

Standard InChI Key:  JPWAQYSLKMIFOO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA435702

   Imidazopyridine 18a

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: 412.54

Molecular Weight (Monoisotopic): 412.2263

AlogP: 4.71

#Rotatable Bonds: 6

Polar Surface Area: 42.54

Molecular Species: BASE

HBA: 5

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 9.18

CX LogP: 3.04

CX LogD: 1.25

Aromatic Rings: 4

Heavy Atoms: 31

QED Weighted: 0.46

Np Likeness Score: -1.21

References

1. Wu Z, Fraley ME, Bilodeau MT, Kaufman ML, Tasber ES, Balitza AE, Hartman GD, Coll KE, Rickert K, Shipman J, Shi B, Sepp-Lorenzino L, Thomas KA..  (2004)  Design and synthesis of 3,7-diarylimidazopyridines as inhibitors of the VEGF-receptor KDR.,  14  (4): [PMID:15012992] [10.1016/j.bmcl.2003.12.007]

Source

Source(1):

• Scientific Literature