1-(4-(3-fluoro-4-methoxybenzyl)pyridin-2-yl)indoline-4-carboxamide

ID: ALA4862064

Chembl Id: CHEMBL4862064

PubChem CID: 122653718

Max Phase: Preclinical

Molecular Formula: C22H20FN3O2

Molecular Weight: 377.42

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccnc(N3CCc4c(C(N)=O)cccc43)c2)cc1F

Standard InChI:  InChI=1S/C22H20FN3O2/c1-28-20-6-5-14(12-18(20)23)11-15-7-9-25-21(13-15)26-10-8-16-17(22(24)27)3-2-4-19(16)26/h2-7,9,12-13H,8,10-11H2,1H3,(H2,24,27)

Standard InChI Key:  IEUPKILJKQGEPS-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4862064

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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: 377.42

Molecular Weight (Monoisotopic): 377.1540

AlogP: 3.61

#Rotatable Bonds: 5

Polar Surface Area: 68.45

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: 3.98

CX LogD: 3.97

Aromatic Rings: 3

Heavy Atoms: 28

QED Weighted: 0.74

Np Likeness Score: -1.12

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