N-cyclohexyl-3-methyl-1H-pyrazolo[4,3-c]pyridin-4-amine

ID: ALA4440433

Chembl Id: CHEMBL4440433

PubChem CID: 46912330

Max Phase: Preclinical

Molecular Formula: C13H18N4

Molecular Weight: 230.31

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1n[nH]c2ccnc(NC3CCCCC3)c12

Standard InChI:  InChI=1S/C13H18N4/c1-9-12-11(17-16-9)7-8-14-13(12)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,14,15)(H,16,17)

Standard InChI Key:  NTHVCYRZMWBAGI-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4440433

   N-cyclohexyl-3-methyl-2H-pyrazolo[4,3-c]pyridin-4-amine

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: 230.31

Molecular Weight (Monoisotopic): 230.1531

AlogP: 3.01

#Rotatable Bonds: 2

Polar Surface Area: 53.60

Molecular Species: NEUTRAL

HBA: 3

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 4

HBD (Lipinski): 2

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 8.98

CX Basic pKa: 7.21

CX LogP: 1.97

CX LogD: 1.85

Aromatic Rings: 2

Heavy Atoms: 17

QED Weighted: 0.83

Np Likeness Score: -1.25

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