![CAS 1260681-83-1 5-Amino-3-iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260681-83-1.gif)
CAS RN: 1260681-83-1
5-Amino-3-iodo-1H-pyrazolo[3,4-b]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.20260416 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1260681-83-1
- Purity/Analytical Methods: >99.0%
1260681-83-1 / 3-iodo-2H-pyrazolo[3,4-b]pyridin-5-amine
Basic Information
CAS
1260681-83-1
Multi CAS
No
Molecular Formula
C6H5IN4
Molecular Weight
260.040000
Exact Mass
259.955890
SMILES
C1=C(C=NC2=NNC(=C21)I)N
InChI
InChI=1S/C6H5IN4/c7-5-4-1-3(8)2-9-6(4)11-10-5/h1-2H,8H2,(H,9,10,11)
InChIKey
BHOKNYCMLGEQQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.02
TPSA
67.59
LogP / Solubility
WLOGP
1.14
MLOGP
1.01
XLogP3
0.8
Consensus LogP
0.98
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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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