2-Methyl-5-(4-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

ID: ALA3718602

Chembl Id: CHEMBL3718602

PubChem CID: 70925732

Max Phase: Preclinical

Molecular Formula: C19H15N7O

Molecular Weight: 357.38

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Cc1nn2c(=O)cc(-c3ccc4[nH]nnc4c3C)[nH]c2c1-c1ccccn1

Standard InChI:  InChI=1S/C19H15N7O/c1-10-12(6-7-14-18(10)23-25-22-14)15-9-16(27)26-19(21-15)17(11(2)24-26)13-5-3-4-8-20-13/h3-9,21H,1-2H3,(H,22,23,25)

Standard InChI Key:  IUYXENSKKWLJDN-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3718602

   2-methyl-5-(4-methyl-2H-benzotriazol-5-yl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

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: 357.38

Molecular Weight (Monoisotopic): 357.1338

AlogP: 2.64

#Rotatable Bonds: 2

Polar Surface Area: 104.62

Molecular Species: NEUTRAL

HBA: 6

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 8

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 8.90

CX Basic pKa: 2.90

CX LogP: 2.19

CX LogD: 2.18

Aromatic Rings: 5

Heavy Atoms: 27

QED Weighted: 0.51

Np Likeness Score: -1.34

References

1.  (2012)  Heterocyclic compounds for the inhibition of pask, 

2.  (2012)  Heterocyclic compounds for the inhibition of pask, 

Source

Source(1):

• Patent Bioactivity Data