CAS RN: 24638-20-8

3H-imidazo[4,5-b]pyridin-2-ylmethanol

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  • Product code: starshine_CAS24638-20-8
  • Purity/Analytical Methods: >99.0%
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24638-20-8 / 1H-imidazo[4,5-b]pyridin-2-ylmethanol

Standard CAS: 24638-20-8 Multi CAS: No

Basic Information

CAS
24638-20-8
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
C1=CC2=C(N=C1)N=C(N2)CO
InChI
InChI=1S/C7H7N3O/c11-4-6-9-5-2-1-3-8-7(5)10-6/h1-3,11H,4H2,(H,8,9,10)
InChIKey
HDNNHMQTORIJHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.81
TPSA
61.8

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
-0.4
Consensus LogP
0.15
Log S (ESOL)
-1.59
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-3.31

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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