![CAS 2578957-63-6 2-(1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2578957-63-6.gif)
CAS RN: 2578957-63-6
2-(1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251227 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2578957-63-6
- Purity/Analytical Methods: >99.0%
2578957-63-6 / 2-(1H-imidazol-2-yl)-3H-imidazo[4,5-c]pyridine
Basic Information
CAS
2578957-63-6
Multi CAS
No
Molecular Formula
C9H7N5
Molecular Weight
185.190000
Exact Mass
185.070145
SMILES
C1=CN=CC2=C1N=C(N2)C3=NC=CN3
InChI
InChI=1S/C9H7N5/c1-2-10-5-7-6(1)13-9(14-7)8-11-3-4-12-8/h1-5H,(H,11,12)(H,13,14)
InChIKey
WLHDDUITTKGYLG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.47
TPSA
70.25
LogP / Solubility
WLOGP
1.35
MLOGP
1.18
XLogP3
0.3
Consensus LogP
0.94
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-2.89
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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