![CAS 1301214-72-1 Methyl 1h-pyrazolo[4,3-b]pyridine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1301214-72-1.gif)
CAS RN: 1301214-72-1
Methyl 1h-pyrazolo[4,3-b]pyridine-6-carboxylate
- Product code: SSC-036829
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1301214-72-1 / methyl 1H-pyrazolo[4,5-b]pyridine-6-carboxylate
Basic Information
CAS
1301214-72-1
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
SMILES
COC(=O)C1=CC2=C(C=NN2)N=C1
InChI
InChI=1S/C8H7N3O2/c1-13-8(12)5-2-6-7(9-3-5)4-10-11-6/h2-4H,1H3,(H,10,11)
InChIKey
AQDFNXASXNIENA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.23
TPSA
67.87
LogP / Solubility
WLOGP
0.74
MLOGP
0.65
XLogP3
0.4
Consensus LogP
0.6
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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