5-[4-(4-chlorophenoxy)-1-piperidyl]-N-(4-propoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

ID: ALA5275239

Chembl Id: CHEMBL5275239

Max Phase: Preclinical

Molecular Formula: C24H25ClN6O3

Molecular Weight: 480.96

Names and Identifiers

Canonical SMILES:  CCCOc1ccc(Nc2nc3nonc3nc2N2CCC(Oc3ccc(Cl)cc3)CC2)cc1

Standard InChI:  InChI=1S/C24H25ClN6O3/c1-2-15-32-18-9-5-17(6-10-18)26-23-24(28-22-21(27-23)29-34-30-22)31-13-11-20(12-14-31)33-19-7-3-16(25)4-8-19/h3-10,20H,2,11-15H2,1H3,(H,26,27,29)

Standard InChI Key:  VLTZABOHUXEIEO-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5275239

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 480.96

Molecular Weight (Monoisotopic): 480.1677

AlogP: 5.25

#Rotatable Bonds: 8

Polar Surface Area: 98.43

Molecular Species: NEUTRAL

HBA: 9

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 9

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa:

CX LogP: 5.25

CX LogD: 5.25

Aromatic Rings: 4

Heavy Atoms: 34

QED Weighted: 0.36

Np Likeness Score: -1.31

References

1. Mancini RS, Barden CJ, Weaver DF, Reed MA..  (2021)  Furazans in Medicinal Chemistry.,  64  (4.0): [PMID:33569941] [10.1021/acs.jmedchem.0c01901]

Source

Source(1):

• Scientific Literature