5-(6-Chloroimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide

ID: ALA3917542

Chembl Id: CHEMBL3917542

PubChem CID: 134142195

Max Phase: Preclinical

Molecular Formula: C14H10ClN3O2

Molecular Weight: 287.71

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  NC(=O)c1cc(-c2cn3cc(Cl)ccc3n2)ccc1O

Standard InChI:  InChI=1S/C14H10ClN3O2/c15-9-2-4-13-17-11(7-18(13)6-9)8-1-3-12(19)10(5-8)14(16)20/h1-7,19H,(H2,16,20)

Standard InChI Key:  QENQWIQCBQPUJU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3917542

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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: 287.71

Molecular Weight (Monoisotopic): 287.0462

AlogP: 2.46

#Rotatable Bonds: 2

Polar Surface Area: 80.62

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): 0

CX Acidic pKa: 7.73

CX Basic pKa: 5.34

CX LogP: 2.59

CX LogD: 2.42

Aromatic Rings: 3

Heavy Atoms: 20

QED Weighted: 0.76

Np Likeness Score: -1.72

References

1. Lawson M, Rodrigo J, Baratte B, Robert T, Delehouzé C, Lozach O, Ruchaud S, Bach S, Brion JD, Alami M, Hamze A..  (2016)  Synthesis, biological evaluation and molecular modeling studies of imidazo[1,2-a]pyridines derivatives as protein kinase inhibitors.,  123  [PMID:27474927] [10.1016/j.ejmech.2016.07.040]

Source

Source(1):

• Scientific Literature