1-(4-(benzofuran-5-ylmethyl)pyridin-2-yl)indoline-4-carboxamide

ID: ALA4851533

Chembl Id: CHEMBL4851533

PubChem CID: 122653690

Max Phase: Preclinical

Molecular Formula: C23H19N3O2

Molecular Weight: 369.42

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  NC(=O)c1cccc2c1CCN2c1cc(Cc2ccc3occc3c2)ccn1

Standard InChI:  InChI=1S/C23H19N3O2/c24-23(27)19-2-1-3-20-18(19)7-10-26(20)22-14-16(6-9-25-22)12-15-4-5-21-17(13-15)8-11-28-21/h1-6,8-9,11,13-14H,7,10,12H2,(H2,24,27)

Standard InChI Key:  ALYMUMFNDVNYFZ-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4851533

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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: 369.42

Molecular Weight (Monoisotopic): 369.1477

AlogP: 4.21

#Rotatable Bonds: 4

Polar Surface Area: 72.36

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: 4.16

CX LogD: 4.15

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.58

Np Likeness Score: -0.51

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