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

ID: ALA4869490

Chembl Id: CHEMBL4869490

PubChem CID: 122653533

Max Phase: Preclinical

Molecular Formula: C26H28FN3O4

Molecular Weight: 465.53

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C26H28FN3O4/c1-33-24-6-5-18(16-22(24)27)15-19-7-9-28-25(17-19)30-11-8-20-21(3-2-4-23(20)30)26(32)29-10-13-34-14-12-31/h2-7,9,16-17,31H,8,10-15H2,1H3,(H,29,32)

Standard InChI Key:  DPTXCBDXXRXXOO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4869490

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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: 465.53

Molecular Weight (Monoisotopic): 465.2064

AlogP: 3.25

#Rotatable Bonds: 10

Polar Surface Area: 83.92

Molecular Species: NEUTRAL

HBA: 6

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 7

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 5.58

CX LogP: 3.47

CX LogD: 3.46

Aromatic Rings: 3

Heavy Atoms: 34

QED Weighted: 0.45

Np Likeness Score: -1.15

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