1-(2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-yl)-N-phenylpiperidine-4-carboxamide

ID: ALA4583823

Chembl Id: CHEMBL4583823

PubChem CID: 135335237

Max Phase: Preclinical

Molecular Formula: C27H27ClN4O3

Molecular Weight: 490.99

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(OC)c(-c2cn3ccc(N4CCC(C(=O)Nc5ccccc5)CC4)cc3n2)cc1Cl

Standard InChI:  InChI=1S/C27H27ClN4O3/c1-34-24-16-25(35-2)22(28)15-21(24)23-17-32-13-10-20(14-26(32)30-23)31-11-8-18(9-12-31)27(33)29-19-6-4-3-5-7-19/h3-7,10,13-18H,8-9,11-12H2,1-2H3,(H,29,33)

Standard InChI Key:  CXOCJFIKRAWKFU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4583823

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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: 490.99

Molecular Weight (Monoisotopic): 490.1772

AlogP: 5.53

#Rotatable Bonds: 6

Polar Surface Area: 68.10

Molecular Species: NEUTRAL

HBA: 6

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 7

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 5.26

CX LogP: 4.70

CX LogD: 4.69

Aromatic Rings: 4

Heavy Atoms: 35

QED Weighted: 0.38

Np Likeness Score: -1.66

References

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

Source

Source(1):

• Patent Bioactivity Data