![CAS 2222654-09-1 Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-(6-fluoro-3-pyridinyl)-6-hydroxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222654-09-1.gif)
CAS RN: 2222654-09-1
Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-(6-fluoro-3-pyridinyl)-6-hydroxy-
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.20260415 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-106890
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2222654-09-1 / 4-(6-fluoro-3-pyridinyl)-6-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
Basic Information
CAS
2222654-09-1
Multi CAS
No
Molecular Formula
C13H7FN4O
Molecular Weight
254.220000
Exact Mass
254.060389
SMILES
C1=CC(=NC=C1C2=CC(=CN3C2=C(C=N3)C#N)O)F
InChI
InChI=1S/C13H7FN4O/c14-12-2-1-8(5-16-12)11-3-10(19)7-18-13(11)9(4-15)6-17-18/h1-3,5-7,19H
InChIKey
VOTPTQNCWJNQGK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.76
TPSA
74.21
LogP / Solubility
WLOGP
2.11
MLOGP
1.87
XLogP3
1.4
Consensus LogP
1.79
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77
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 2222752-05-6 Pyrazolo[1,5-a]pyridine-3-carbonitrile, 4-[6-(3,6-diazabicyclo[3.1.1]hept-3-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2222752-05-6.gif)
