N-(2-hydroxyethyl)-1-(4-(3,4,5-trifluorobenzyl)pyridin-2-yl)indoline-4-carboxamide

ID: ALA4873666

Chembl Id: CHEMBL4873666

PubChem CID: 118798887

Max Phase: Preclinical

Molecular Formula: C23H20F3N3O2

Molecular Weight: 427.43

Molecule Type: Unknown

Names and Identifiers

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

Standard InChI:  InChI=1S/C23H20F3N3O2/c24-18-11-15(12-19(25)22(18)26)10-14-4-6-27-21(13-14)29-8-5-16-17(2-1-3-20(16)29)23(31)28-7-9-30/h1-4,6,11-13,30H,5,7-10H2,(H,28,31)

Standard InChI Key:  HJQCELFTHPDMIP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4873666

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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: 427.43

Molecular Weight (Monoisotopic): 427.1508

AlogP: 3.51

#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: 3.96

CX LogD: 3.95

Aromatic Rings: 3

Heavy Atoms: 31

QED Weighted: 0.59

Np Likeness Score: -1.08

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