4-(2-(dimethylamino)imidazo[1,2-a]pyridin-3-yl)phenol

ID: ALA4740119

Chembl Id: CHEMBL4740119

PubChem CID: 162644832

Max Phase: Preclinical

Molecular Formula: C15H15N3O

Molecular Weight: 253.31

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CN(C)c1nc2ccccn2c1-c1ccc(O)cc1

Standard InChI:  InChI=1S/C15H15N3O/c1-17(2)15-14(11-6-8-12(19)9-7-11)18-10-4-3-5-13(18)16-15/h3-10,19H,1-2H3

Standard InChI Key:  WHEMRCRGZRRMCK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4740119

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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: 253.31

Molecular Weight (Monoisotopic): 253.1215

AlogP: 2.77

#Rotatable Bonds: 2

Polar Surface Area: 40.77

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.99

CX Basic pKa: 4.36

CX LogP: 2.73

CX LogD: 2.72

Aromatic Rings: 3

Heavy Atoms: 19

QED Weighted: 0.76

Np Likeness Score: -1.26

References

1. Engström O,Belda O,Kullman-Magnusson M,Rapp M,Böhm K,Paul R,Henderson I,Derbyshire D,Karlström S,Parkes KEB,Zhao H.  (2020)  Discovery of USP7 small-molecule allosteric inhibitors.,  30  (20): [PMID:32781219] [10.1016/j.bmcl.2020.127471]

Source

Source(1):

• Scientific Literature