ID: ALA544354

Max Phase: Preclinical

Molecular Formula: C11H16ClN5

Molecular Weight: 217.28

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1cn2ccnc(N3CCNCC3)c2n1.Cl

Standard InChI:  InChI=1S/C11H15N5.ClH/c1-9-8-16-7-4-13-10(11(16)14-9)15-5-2-12-3-6-15;/h4,7-8,12H,2-3,5-6H2,1H3;1H

Standard InChI Key:  LTYSNVXFXGUEMF-UHFFFAOYSA-N

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

Properties

Molecular Weight: 217.28

Molecular Weight (Monoisotopic): 217.1327

AlogP: 0.45

#Rotatable Bonds: 1

Polar Surface Area: 45.46

Molecular Species: BASE

HBA: 5

HBD: 1

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 8.71

CX LogP: -0.16

CX LogD: -1.48

Aromatic Rings: 2

Heavy Atoms: 16

QED Weighted: 0.75

Np Likeness Score: -1.74

References

1. Meurer LC, Tolman RL, Chapin EW, Saperstein R, Vicario PP, Zrada MM, MacCoss M..  (1992)  Synthesis and hypoglycemic activity of substituted 8-(1-piperazinyl)imidazo[1,2-a]pyrazines.,  35  (21): [PMID:1359141] [10.1021/jm00099a012]

Source

Source(1):

• Scientific Literature