4-(4-(2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-yl)piperazin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine

ID: ALA4525679

Chembl Id: CHEMBL4525679

PubChem CID: 135335124

Max Phase: Preclinical

Molecular Formula: C24H27ClN8O2

Molecular Weight: 494.99

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  COc1cc(OC)c(-c2cn3ccc(N4CCN(c5ncnc(N(C)C)n5)CC4)cc3n2)cc1Cl

Standard InChI:  InChI=1S/C24H27ClN8O2/c1-30(2)23-26-15-27-24(29-23)32-9-7-31(8-10-32)16-5-6-33-14-19(28-22(33)11-16)17-12-18(25)21(35-4)13-20(17)34-3/h5-6,11-15H,7-10H2,1-4H3

Standard InChI Key:  MKAQXTQBOLLIPK-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4525679

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 494.99

Molecular Weight (Monoisotopic): 494.1945

AlogP: 3.25

#Rotatable Bonds: 6

Polar Surface Area: 84.15

Molecular Species: NEUTRAL

HBA: 10

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 10

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 6.13

CX LogP: 4.28

CX LogD: 4.25

Aromatic Rings: 4

Heavy Atoms: 35

QED Weighted: 0.40

Np Likeness Score: -1.46

References

1.  (2018)  Bicyclic compound and use thereof for inhibiting suv39h2, 

Source

Source(1):

• Patent Bioactivity Data