4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)morpholine

ID: ALA523983

Chembl Id: CHEMBL523983

PubChem CID: 44565095

Max Phase: Preclinical

Molecular Formula: C23H20FN3O

Molecular Weight: 373.43

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Fc1ccc(-c2[nH]c3cc(N4CCOCC4)ccc3c2-c2ccncc2)cc1

Standard InChI:  InChI=1S/C23H20FN3O/c24-18-3-1-17(2-4-18)23-22(16-7-9-25-10-8-16)20-6-5-19(15-21(20)26-23)27-11-13-28-14-12-27/h1-10,15,26H,11-14H2

Standard InChI Key:  CSXQIVPDKYFOKY-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA523983

   4-(2-(4-fluorophenyl)-3-(pyridin-4-yl)-1H-indol-6-yl)morpholine

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 373.43

Molecular Weight (Monoisotopic): 373.1590

AlogP: 4.87

#Rotatable Bonds: 3

Polar Surface Area: 41.15

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 4.59

CX LogP: 4.10

CX LogD: 4.10

Aromatic Rings: 4

Heavy Atoms: 28

QED Weighted: 0.56

Np Likeness Score: -1.09

References

1. Scribner A, Moore JA, Ouvry G, Fisher M, Wyvratt M, Leavitt P, Liberator P, Gurnett A, Brown C, Mathew J, Thompson D, Schmatz D, Biftu T..  (2009)  Synthesis and biological activity of anticoccidial agents: 2,3-diarylindoles.,  19  (5): [PMID:19195883] [10.1016/j.bmcl.2009.01.001]

Source

Source(1):

• Scientific Literature