N,N-dimethyl-4-[6-(1-methylindol-5-yl)imidazo[1,2-a]pyrazin-3-yl]benzamide

ID: ALA3730806

PubChem CID: 117769473

Max Phase: Preclinical

Molecular Formula: C24H21N5O

Molecular Weight: 395.47

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccc5c(ccn5C)c4)cn23)cc1

Standard InChI:  InChI=1S/C24H21N5O/c1-27(2)24(30)17-6-4-16(5-7-17)22-13-26-23-14-25-20(15-29(22)23)18-8-9-21-19(12-18)10-11-28(21)3/h4-15H,1-3H3

Standard InChI Key:  UBZTUEWMDPIMEV-UHFFFAOYSA-N

Molfile:  

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M  END

Alternative Forms

1. Parent:

   

   ALA3730806

   N,N-dimethyl-4-[6-(1-methylindol-5-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: 395.47

Molecular Weight (Monoisotopic): 395.1746

AlogP: 4.26

#Rotatable Bonds: 3

Polar Surface Area: 55.43

Molecular Species: NEUTRAL

HBA: 5

HBD: ┄

#RO5 Violations: ┄

HBA (Lipinski): 6

HBD (Lipinski): ┄

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: ┄

CX Basic pKa: 3.12

CX LogP: 2.76

CX LogD: 2.76

Aromatic Rings: 5

Heavy Atoms: 30

QED Weighted: 0.46

Np Likeness Score: -1.33

References

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

Source

Source(1):

• Patent Bioactivity Data