N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridyl]imidazo[1,2-a]pyrazin-3-yl]benzamide

ID: ALA3732464

PubChem CID: 117769367

Max Phase: Preclinical

Molecular Formula: C25H27N7O

Molecular Weight: 441.54

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CN1CCN(c2ccc(-c3cn4c(-c5ccc(C(=O)N(C)C)cc5)cnc4cn3)cn2)CC1

Standard InChI:  InChI=1S/C25H27N7O/c1-29(2)25(33)19-6-4-18(5-7-19)22-15-28-24-16-26-21(17-32(22)24)20-8-9-23(27-14-20)31-12-10-30(3)11-13-31/h4-9,14-17H,10-13H2,1-3H3

Standard InChI Key:  FRHIGJMOBUQTJW-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3732464

   N,N-dimethyl-4-[6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]imidazo[1,2-a]pyrazin-3-yl]benzamide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 441.54

Molecular Weight (Monoisotopic): 441.2277

AlogP: 2.91

#Rotatable Bonds: 4

Polar Surface Area: 69.87

Molecular Species: NEUTRAL

HBA: 7

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 8

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 7.47

CX LogP: 1.77

CX LogD: 1.44

Aromatic Rings: 4

Heavy Atoms: 33

QED Weighted: 0.49

Np Likeness Score: -1.72

References

1.  (2014)  Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, 

Source

Source(1):

• Patent Bioactivity Data