CAS RN: 76537-32-1

3,6-dichloro-Imidazo[1,2-a]pyrazine

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  • Product code: LINI927106
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76537-32-1 / 3,6-dichloroimidazo[1,2-a]pyrazine

Standard CAS: 76537-32-1 Multi CAS: No

Basic Information

CAS
76537-32-1
Multi CAS
No
Molecular Formula
C6H3CL2N3
Molecular Weight
188.010000
Exact Mass
186.970403
InChI
InChI=1S/C6H3Cl2N3/c7-4-3-11-5(8)1-10-6(11)2-9-4/h1-3H
InChIKey
OTTOYMDUVBFHMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
43.01
TPSA
30.19

LogP / Solubility

WLOGP
2.04
MLOGP
1.79
XLogP3
2.6
Consensus LogP
2.14
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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