CAS RN: 946157-08-0

6-piperazin-1-ylimidazo[1,2-b]pyridazine hydrochloride

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  • Product code: starshine_CAS946157-08-0
  • Purity/Analytical Methods: >99.0%
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946157-08-0 / 6-piperazin-1-ylimidazo[1,2-b]pyridazine

Standard CAS: 946157-08-0 Multi CAS: Yes

Basic Information

CAS
946157-08-0
Multi CAS
Yes
Molecular Formula
C10H13N5
Molecular Weight
203.240000
Exact Mass
203.117095
InChI
InChI=1S/C10H13N5/c1-2-10(14-6-3-11-4-7-14)13-15-8-5-12-9(1)15/h1-2,5,8,11H,3-4,6-7H2
InChIKey
RWXNJNDHWARRGE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.07
TPSA
45.46

LogP / Solubility

WLOGP
0.14
MLOGP
0.12
XLogP3
0.1
Consensus LogP
0.12
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.22
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

Drug-likeness / Medicinal Chemistry

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

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