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CAS 50339-06-5 2H-IMidazo[4,5-b]pyridin-2-one, 1,3-dihydro-1-Methyl- molecular structure lightbox
CAS RN: 50339-06-5

2H-IMidazo[4,5-b]pyridin-2-one, 1,3-dihydro-1-Methyl-

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  • Product code: starshine_CAS50339-06-5
  • Purity/Analytical Methods: >99.0%
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50339-06-5 / 1-methyl-3H-imidazo[4,5-b]pyridin-2-one

Standard CAS: 50339-06-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50339-06-5
Multi CAS
Yes
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
InChI
InChI=1S/C7H7N3O/c1-10-5-3-2-4-8-6(5)9-7(10)11/h2-4H,1H3,(H,8,9,11)
InChIKey
JWBRNYGXJYMMSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
41.33
TPSA
50.68

LogP / Solubility

WLOGP
0.26
MLOGP
0.22
Consensus LogP
0.16
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-0.97
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.85
Class (SILICOS-IT)
Very 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)
-3.44

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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