![CAS 1386457-82-4 3-iodo-5-methyl-1H-Pyrazolo[3,4-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1386457-82-4.gif)
CAS RN: 1386457-82-4
3-iodo-5-methyl-1H-Pyrazolo[3,4-c]pyridine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260214 | 100mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1386457-82-4
- Purity/Analytical Methods: >99.0%
1386457-82-4 / 3-iodo-5-methyl-2H-pyrazolo[3,4-c]pyridine
Basic Information
CAS
1386457-82-4
Multi CAS
No
Molecular Formula
C7H6IN3
Molecular Weight
259.050000
Exact Mass
258.960640
SMILES
CC1=CC2=C(NN=C2C=N1)I
InChI
InChI=1S/C7H6IN3/c1-4-2-5-6(3-9-4)10-11-7(5)8/h2-3H,1H3,(H,10,11)
InChIKey
HQEXSKOLTYFXQM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.34
TPSA
41.57
LogP / Solubility
WLOGP
1.87
MLOGP
1.65
XLogP3
1.6
Consensus LogP
1.71
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
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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![CAS 1386457-83-5 tert-butyl 2-(3-iodo-5-methyl-1H-pyrazolo[3,4-c]pyridin-1-yl)acetate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1386457-83-5.gif)
