N-(2-fluorophenyl)-3-methyl-1H-pyrazolo[4,3-c]pyridin-4-amine

ID: ALA4449552

Chembl Id: CHEMBL4449552

PubChem CID: 59618971

Max Phase: Preclinical

Molecular Formula: C13H11FN4

Molecular Weight: 242.26

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  Cc1n[nH]c2ccnc(Nc3ccccc3F)c12

Standard InChI:  InChI=1S/C13H11FN4/c1-8-12-11(18-17-8)6-7-15-13(12)16-10-5-3-2-4-9(10)14/h2-7H,1H3,(H,15,16)(H,17,18)

Standard InChI Key:  LXMIMRIGYVEFSW-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA4449552

   N-(2-fluorophenyl)-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: 242.26

Molecular Weight (Monoisotopic): 242.0968

AlogP: 3.15

#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: 8.86

CX Basic pKa: 4.71

CX LogP: 2.39

CX LogD: 2.37

Aromatic Rings: 3

Heavy Atoms: 18

QED Weighted: 0.73

Np Likeness Score: -1.98

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