1-(4-(3-chloro-5-fluorobenzyl)pyridin-2-yl)-N-(2-hydroxyethyl)indoline-4-carboxamide

ID: ALA4868910

Chembl Id: CHEMBL4868910

PubChem CID: 122653542

Max Phase: Preclinical

Molecular Formula: C23H21ClFN3O2

Molecular Weight: 425.89

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  O=C(NCCO)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1

Standard InChI:  InChI=1S/C23H21ClFN3O2/c24-17-11-16(12-18(25)14-17)10-15-4-6-26-22(13-15)28-8-5-19-20(2-1-3-21(19)28)23(30)27-7-9-29/h1-4,6,11-14,29H,5,7-10H2,(H,27,30)

Standard InChI Key:  KBELHUDGIBUVHF-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4868910

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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: 425.89

Molecular Weight (Monoisotopic): 425.1306

AlogP: 3.88

#Rotatable Bonds: 6

Polar Surface Area: 65.46

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 5.56

CX LogP: 4.28

CX LogD: 4.27

Aromatic Rings: 3

Heavy Atoms: 30

QED Weighted: 0.63

Np Likeness Score: -1.28

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