4-(Pyridine-2-yl)-1H-imidazo[4,5-c]pyridin-2-amine

ID: ALA2153264

Chembl Id: CHEMBL2153264

PubChem CID: 67238213

Max Phase: Preclinical

Molecular Formula: C11H9N5

Molecular Weight: 211.23

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  Nc1nc2c(-c3ccccn3)nccc2[nH]1

Standard InChI:  InChI=1S/C11H9N5/c12-11-15-8-4-6-14-9(10(8)16-11)7-3-1-2-5-13-7/h1-6H,(H3,12,15,16)

Standard InChI Key:  JZRNXAPRPJTGOG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA2153264

   4-pyridin-2-yl-1H-imidazo[4,5-c]pyridin-2-amine

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: 211.23

Molecular Weight (Monoisotopic): 211.0858

AlogP: 1.60

#Rotatable Bonds: 1

Polar Surface Area: 80.48

Molecular Species: NEUTRAL

HBA: 4

HBD: 2

#RO5 Violations: ┄

HBA (Lipinski): 5

HBD (Lipinski): 3

#RO5 Violations (Lipinski): ┄

CX Acidic pKa: 11.03

CX Basic pKa: 5.32

CX LogP: 1.10

CX LogD: 1.09

Aromatic Rings: 3

Heavy Atoms: 16

QED Weighted: 0.64

Np Likeness Score: -0.66

References

1. Shengule SR, Loa-Kum-Cheung WL, Parish CR, Blairvacq M, Meijer L, Nakao Y, Karuso P..  (2011)  A one-pot synthesis and biological activity of ageladine A and analogues.,  54  (7): [PMID:21413800] [10.1021/jm200039m]

Source

Source(1):

• Scientific Literature