(R)-5-fluoro-N-(2-fluoro-3-hydroxypropyl)-1-(4-(3-fluoro-4-methoxybenzyl)pyridin-2-yl)indoline-4-carboxamide

ID: ALA4864048

Chembl Id: CHEMBL4864048

PubChem CID: 122653726

Max Phase: Preclinical

Molecular Formula: C25H24F3N3O3

Molecular Weight: 471.48

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1ccc(Cc2ccnc(N3CCc4c3ccc(F)c4C(=O)NC[C@@H](F)CO)c2)cc1F

Standard InChI:  InChI=1S/C25H24F3N3O3/c1-34-22-5-2-15(11-20(22)28)10-16-6-8-29-23(12-16)31-9-7-18-21(31)4-3-19(27)24(18)25(33)30-13-17(26)14-32/h2-6,8,11-12,17,32H,7,9-10,13-14H2,1H3,(H,30,33)/t17-/m1/s1

Standard InChI Key:  NHGMCYVIKOXUOZ-QGZVFWFLSA-N

Alternative Forms

1. Parent:

   

   ALA4864048

   ---

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: 471.48

Molecular Weight (Monoisotopic): 471.1770

AlogP: 3.71

#Rotatable Bonds: 8

Polar Surface Area: 74.69

Molecular Species: NEUTRAL

HBA: 5

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 13.40

CX Basic pKa: 5.63

CX LogP: 3.92

CX LogD: 3.91

Aromatic Rings: 3

Heavy Atoms: 34

QED Weighted: 0.52

Np Likeness Score: -1.03

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