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

ID: ALA4861734

Chembl Id: CHEMBL4861734

PubChem CID: 122653710

Max Phase: Preclinical

Molecular Formula: C24H23F2N3O2

Molecular Weight: 423.46

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C24H23F2N3O2/c1-31-22-6-5-16(14-20(22)26)13-17-7-10-27-23(15-17)29-12-8-18-19(3-2-4-21(18)29)24(30)28-11-9-25/h2-7,10,14-15H,8-9,11-13H2,1H3,(H,28,30)

Standard InChI Key:  PZWPERBCYOOPLF-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4861734

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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: 423.46

Molecular Weight (Monoisotopic): 423.1758

AlogP: 4.21

#Rotatable Bonds: 7

Polar Surface Area: 54.46

Molecular Species: NEUTRAL

HBA: 4

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 5.58

CX LogP: 4.41

CX LogD: 4.40

Aromatic Rings: 3

Heavy Atoms: 31

QED Weighted: 0.62

Np Likeness Score: -1.21

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