![CAS 1093871-50-1 5-Amino-1-methyl-3-iodo-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1093871-50-1.gif)
CAS RN: 1093871-50-1
5-Amino-1-methyl-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.20250224 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1093871-50-1
- Purity/Analytical Methods: >99.0%
1093871-50-1 / 3-iodo-1-methylpyrazolo[5,4-b]pyridin-5-amine
5-AMINO-1-METHYL-3-IODO-1H-PYRAZOLO[3,4-B]PYRIDINE | 3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE | MFCD17016019
Basic Information
CAS
1093871-50-1
Multi CAS
No
Molecular Formula
C7H7IN4
Molecular Weight
274.060000
Exact Mass
273.971540
SMILES
CN1C2=C(C=C(C=N2)N)C(=N1)I
InChI
InChI=1S/C7H7IN4/c1-12-7-5(6(8)11-12)2-4(9)3-10-7/h2-3H,9H2,1H3
InChIKey
VFHDTXLRRMAKIV-UHFFFAOYSA-N
Synonyms
5-AMINO-1-METHYL-3-IODO-1H-PYRAZOLO[3,4-B]PYRIDINE
3-IODO-1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDIN-5-AMINE
MFCD17016019
3-iodo-1-methylpyrazolo[3,4-b]pyridin-5-amine
SCHEMBL3026539
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.64
TPSA
56.73
LogP / Solubility
WLOGP
1.16
MLOGP
1.03
XLogP3
0.8
Consensus LogP
1
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.4
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)
-3.57
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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