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

ID: ALA5289413

Chembl Id: CHEMBL5289413

Max Phase: Preclinical

Molecular Formula: C26H25N5O

Molecular Weight: 423.52

Names and Identifiers

Canonical SMILES:  COc1ccccc1-c1cn2ccnc2c(-c2ccc3ncn(C4CCCCC4)c3c2)n1

Standard InChI:  InChI=1S/C26H25N5O/c1-32-24-10-6-5-9-20(24)22-16-30-14-13-27-26(30)25(29-22)18-11-12-21-23(15-18)31(17-28-21)19-7-3-2-4-8-19/h5-6,9-17,19H,2-4,7-8H2,1H3

Standard InChI Key:  KVJULZLBWKBLFP-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA5289413

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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: 423.52

Molecular Weight (Monoisotopic): 423.2059

AlogP: 5.93

#Rotatable Bonds: 4

Polar Surface Area: 57.24

Molecular Species: NEUTRAL

HBA: 6

HBD: ┄

#RO5 Violations: 1

HBA (Lipinski): 6

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): 1

CX Acidic pKa: ┄

CX Basic pKa: 5.03

CX LogP: 4.76

CX LogD: 4.76

Aromatic Rings: 5

Heavy Atoms: 32

QED Weighted: 0.36

Np Likeness Score: -1.07

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