ID: ALA127303

Max Phase: Preclinical

Molecular Formula: C11H15N5

Molecular Weight: 217.28

Molecule Type: Small molecule

Representations

Canonical SMILES:  CN1CCN(c2nccn3ccnc23)CC1

Standard InChI:  InChI=1S/C11H15N5/c1-14-6-8-16(9-7-14)11-10-12-2-4-15(10)5-3-13-11/h2-5H,6-9H2,1H3

Standard InChI Key:  MTNWPJOZUJNKFD-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: 0.48

#Rotatable Bonds: 1

Polar Surface Area: 36.67

Molecular Species: NEUTRAL

HBA: 5

HBD: 0

#RO5 Violations: 0

HBA (Lipinski): 5

HBD (Lipinski): 0

#RO5 Violations (Lipinski): 0

CX Acidic pKa:

CX Basic pKa: 7.32

CX LogP: 0.09

CX LogD: -0.17

Aromatic Rings: 2

Heavy Atoms: 16

QED Weighted: 0.70

Np Likeness Score: -1.55

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