6-Bromo-8-(1-cyclohexyl-1H-benzo[d]imidazole-6-yl)imidazo[1,2-a]pyrazine

ID: ALA5288318

Chembl Id: CHEMBL5288318

Max Phase: Preclinical

Molecular Formula: C19H18BrN5

Molecular Weight: 396.29

Names and Identifiers

Canonical SMILES:  Brc1cn2ccnc2c(-c2ccc3ncn(C4CCCCC4)c3c2)n1

Standard InChI:  InChI=1S/C19H18BrN5/c20-17-11-24-9-8-21-19(24)18(23-17)13-6-7-15-16(10-13)25(12-22-15)14-4-2-1-3-5-14/h6-12,14H,1-5H2

Standard InChI Key:  KOZPWNLRJDPJFB-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5288318

   ---

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: 396.29

Molecular Weight (Monoisotopic): 395.0746

AlogP: 5.01

#Rotatable Bonds: 2

Polar Surface Area: 48.01

Molecular Species: NEUTRAL

HBA: 5

HBD: 0

#RO5 Violations: 1

HBA (Lipinski): 5

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 1

CX Acidic pKa:

CX Basic pKa: 5.02

CX LogP: 3.86

CX LogD: 3.86

Aromatic Rings: 4

Heavy Atoms: 25

QED Weighted: 0.48

Np Likeness Score: -1.16

References

1. Singh I, Luxami V, Paul K..  (2019)  Effective synthesis of benzimidazoles-imidazo[1,2-a]pyrazine conjugates: A comparative study of mono-and bis-benzimidazoles for antitumor activity.,  180  [PMID:31344614] [10.1016/j.ejmech.2019.07.042]

Source

Source(1):

• Scientific Literature