![CAS 842149-46-6 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-7-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/842149-46-6.gif)
CAS RN: 842149-46-6
2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethyl-1H-imidazo[4,5-c]pyridin-7-ol
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS842149-46-6
- Purity/Analytical Methods: >99.0%
842149-46-6 / 2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-ol
Basic Information
CAS
842149-46-6
Multi CAS
No
Molecular Formula
C10H9CLN6O2
Molecular Weight
280.670000
Exact Mass
280.047551
InChI
InChI=1S/C10H9ClN6O2/c1-2-17-7-4(18)3-13-8(11)5(7)14-10(17)6-9(12)16-19-15-6/h3,18H,2H2,1H3,(H2,12,16)
InChIKey
WGKAFLLLVPMZQU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
67.58
TPSA
115.88
LogP / Solubility
WLOGP
1.44
MLOGP
1.28
XLogP3
0.5
Consensus LogP
1.07
Log S (ESOL)
-2.9
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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