1-(4-(3-acetylbenzyl)pyridin-2-yl)indoline-4-carboxamide

ID: ALA4857429

Chembl Id: CHEMBL4857429

PubChem CID: 122653588

Max Phase: Preclinical

Molecular Formula: C23H21N3O2

Molecular Weight: 371.44

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC(=O)c1cccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)c1

Standard InChI:  InChI=1S/C23H21N3O2/c1-15(27)18-5-2-4-16(13-18)12-17-8-10-25-22(14-17)26-11-9-19-20(23(24)28)6-3-7-21(19)26/h2-8,10,13-14H,9,11-12H2,1H3,(H2,24,28)

Standard InChI Key:  FCOWIKWIGBTHDJ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4857429

   ---

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: 371.44

Molecular Weight (Monoisotopic): 371.1634

AlogP: 3.67

#Rotatable Bonds: 5

Polar Surface Area: 76.29

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 5.58

CX LogP: 3.55

CX LogD: 3.55

Aromatic Rings: 3

Heavy Atoms: 28

QED Weighted: 0.69

Np Likeness Score: -0.80

References

1.  (2020)  1-heteroaryl-indoline-4-carboxamides as modulators of gpr52 useful for the treatment or prevention of disorders related thereto, 

Source

Source(1):

• Patent Bioactivity Data