![CAS 1350653-27-8 1H-Pyrazolo[3,4-b]pyridine-3-carboximidamide, 5-fluoro-1-[(2-fluorophenyl)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1350653-27-8.gif)
CAS RN: 1350653-27-8
1H-Pyrazolo[3,4-b]pyridine-3-carboximidamide, 5-fluoro-1-[(2-fluorophenyl)methyl]-
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.20250529 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1350653-27-8
- Purity/Analytical Methods: >99.0%
1350653-27-8 / 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide
Basic Information
CAS
1350653-27-8
Multi CAS
No
Molecular Formula
C14H11F2N5
Molecular Weight
287.270000
Exact Mass
287.098252
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=C(C=N3)F)C(=N2)C(=N)N)F
InChI
InChI=1S/C14H11F2N5/c15-9-5-10-12(13(17)18)20-21(14(10)19-6-9)7-8-3-1-2-4-11(8)16/h1-6H,7H2,(H3,17,18)
InChIKey
QHNLOUKOONWPRR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
74
TPSA
80.58
LogP / Solubility
WLOGP
2.04
MLOGP
1.81
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.39
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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