![CAS 1214900-79-4 6-nitro-1H-Pyrazolo[4,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1214900-79-4.gif)
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1214900-79-4 / 6-nitro-1H-pyrazolo[4,5-b]pyridine
Basic Information
CAS
1214900-79-4
Multi CAS
No
Molecular Formula
C6H4N4O2
Molecular Weight
164.120000
Exact Mass
164.033425
SMILES
C1=C(C=NC2=C1NN=C2)[N+](=O)[O-]
InChI
InChI=1S/C6H4N4O2/c11-10(12)4-1-5-6(7-2-4)3-8-9-5/h1-3H,(H,8,9)
InChIKey
RWWPFTSMFSNMAL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.54
TPSA
84.71
LogP / Solubility
WLOGP
0.87
MLOGP
0.76
XLogP3
0.4
Consensus LogP
0.68
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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