3-(8-acetamido-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl)-N,N-dimethylbenzamide

ID: ALA3730126

Chembl Id: CHEMBL3730126

PubChem CID: 117957714

Max Phase: Preclinical

Molecular Formula: C24H24N6O4

Molecular Weight: 460.49

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  COc1ncc(-c2cc(NC(C)=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)c(OC)n1

Standard InChI:  InChI=1S/C24H24N6O4/c1-14(31)27-19-10-17(18-11-26-24(34-5)28-22(18)33-4)13-30-20(12-25-21(19)30)15-7-6-8-16(9-15)23(32)29(2)3/h6-13H,1-5H3,(H,27,31)

Standard InChI Key:  BCXWLGCCTAPSRF-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3730126

   3-[8-acetamido-6-(2,4-dimethoxypyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-N,N-dimethylbenzamide

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: 460.49

Molecular Weight (Monoisotopic): 460.1859

AlogP: 3.14

#Rotatable Bonds: 6

Polar Surface Area: 110.95

Molecular Species: NEUTRAL

HBA: 8

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 10

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 12.53

CX Basic pKa: 5.08

CX LogP: 1.54

CX LogD: 1.54

Aromatic Rings: 4

Heavy Atoms: 34

QED Weighted: 0.47

Np Likeness Score: -1.38

References

1.  (2014)  Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, 

Source

Source(1):

• Patent Bioactivity Data