2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-(pyridin-4-ylmethyl)piperazin-1-yl)imidazo[1,2-a]pyridine

ID: ALA4574823

Chembl Id: CHEMBL4574823

PubChem CID: 135335406

Max Phase: Preclinical

Molecular Formula: C25H26ClN5O2

Molecular Weight: 463.97

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(OC)c(-c2cn3ccc(N4CCN(Cc5ccncc5)CC4)cc3n2)cc1Cl

Standard InChI:  InChI=1S/C25H26ClN5O2/c1-32-23-15-24(33-2)21(26)14-20(23)22-17-31-8-5-19(13-25(31)28-22)30-11-9-29(10-12-30)16-18-3-6-27-7-4-18/h3-8,13-15,17H,9-12,16H2,1-2H3

Standard InChI Key:  RWTOTLMIPACXCS-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4574823

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 463.97

Molecular Weight (Monoisotopic): 463.1775

AlogP: 4.39

#Rotatable Bonds: 6

Polar Surface Area: 55.13

Molecular Species: NEUTRAL

HBA: 7

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 7.27

CX LogP: 3.54

CX LogD: 3.30

Aromatic Rings: 4

Heavy Atoms: 33

QED Weighted: 0.42

Np Likeness Score: -1.53

References

1.  (2018)  Bicyclic compound and use thereof for inhibiting suv39h2, 

Source

Source(1):

• Patent Bioactivity Data