![CAS 256376-62-2 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/256376-62-2.gif)
CAS RN: 256376-62-2
1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxaMide
- Product code: SSC-121791
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
256376-62-2 / 1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxamide
Basic Information
CAS
256376-62-2
Multi CAS
No
Molecular Formula
C14H11FN4O
Molecular Weight
270.260000
Exact Mass
270.091689
SMILES
C1=CC=C(C(=C1)CN2C3=C(C=CC=N3)C(=N2)C(=O)N)F
InChI
InChI=1S/C14H11FN4O/c15-11-6-2-1-4-9(11)8-19-14-10(5-3-7-17-14)12(18-19)13(16)20/h1-7H,8H2,(H2,16,20)
InChIKey
GWDSAMDSGSEPRH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
71.55
TPSA
73.8
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.7
Consensus LogP
1.65
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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