ID: ALA543653

Max Phase: Preclinical

Molecular Formula: C12H18ClN5

Molecular Weight: 231.30

Molecule Type: Small molecule

Representations

Canonical SMILES:  Cc1cnc(N2CCNCC2)c2ncc(C)n12.Cl

Standard InChI:  InChI=1S/C12H17N5.ClH/c1-9-7-14-11(16-5-3-13-4-6-16)12-15-8-10(2)17(9)12;/h7-8,13H,3-6H2,1-2H3;1H

Standard InChI Key:  YBCJZAJRABKCTJ-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: 231.30

Molecular Weight (Monoisotopic): 231.1484

AlogP: 0.76

#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: 8.73

CX LogP: 0.11

CX LogD: -1.24

Aromatic Rings: 2

Heavy Atoms: 17

QED Weighted: 0.79

Np Likeness Score: -1.17

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