4-(cyclohexyloxy)-3-methyl-1H-pyrazolo[4,3-c]pyridine

ID: ALA4524629

Chembl Id: CHEMBL4524629

PubChem CID: 46898099

Max Phase: Preclinical

Molecular Formula: C13H17N3O

Molecular Weight: 231.30

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1n[nH]c2ccnc(OC3CCCCC3)c12

Standard InChI:  InChI=1S/C13H17N3O/c1-9-12-11(16-15-9)7-8-14-13(12)17-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,16)

Standard InChI Key:  SZWNAVSPEUVUHU-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4524629

   4-cyclohexyloxy-3-methyl-2H-pyrazolo[4,3-c]pyridine

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: 231.30

Molecular Weight (Monoisotopic): 231.1372

AlogP: 2.98

#Rotatable Bonds: 2

Polar Surface Area: 50.80

Molecular Species: NEUTRAL

HBA: 3

HBD: 1

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): 1

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 9.14

CX Basic pKa: 3.61

CX LogP: 2.45

CX LogD: 2.44

Aromatic Rings: 2

Heavy Atoms: 17

QED Weighted: 0.86

Np Likeness Score: -0.85

References

1. Osborne J, Birchall K, Tsagris DJ, Lewis SJ, Smiljanic-Hurley E, Taylor DL, Levy A, Alessi DR, McIver EG..  (2019)  Discovery of potent and selective 5-azaindazole inhibitors of leucine-rich repeat kinase 2 (LRRK2) - Part 1.,  29  (4): [PMID:30554956] [10.1016/j.bmcl.2018.11.058]

Source

Source(1):

• Scientific Literature