N-(thiazol-2-yl)-2-(2-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine-8-carboxamide

ID: ALA5280261

Chembl Id: CHEMBL5280261

Max Phase: Preclinical

Molecular Formula: C17H10F3N5OS

Molecular Weight: 389.36

Names and Identifiers

Canonical SMILES:  O=C(Nc1nccs1)c1ccnn2cc(-c3ccccc3C(F)(F)F)nc12

Standard InChI:  InChI=1S/C17H10F3N5OS/c18-17(19,20)12-4-2-1-3-10(12)13-9-25-14(23-13)11(5-6-22-25)15(26)24-16-21-7-8-27-16/h1-9H,(H,21,24,26)

Standard InChI Key:  HYBIPBFFGHMGGN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5280261

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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: 389.36

Molecular Weight (Monoisotopic): 389.0558

AlogP: 4.12

#Rotatable Bonds: 3

Polar Surface Area: 72.18

Molecular Species: NEUTRAL

HBA: 6

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 10.01

CX Basic pKa: 0.99

CX LogP: 4.00

CX LogD: 4.00

Aromatic Rings: 4

Heavy Atoms: 27

QED Weighted: 0.57

Np Likeness Score: -2.21

References

1. Garrido A, Vera G, Delaye PO, Enguehard-Gueiffier C..  (2021)  Imidazo[1,2-b]pyridazine as privileged scaffold in medicinal chemistry: An extensive review.,  226  [PMID:34607244] [10.1016/j.ejmech.2021.113867]

Source

Source(1):

• Scientific Literature