![CAS 126959-38-4 2-Isopropylpyrazolo[1,5-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126959-38-4.gif)
CAS RN: 126959-38-4
2-Isopropylpyrazolo[1,5-a]pyridine-3-carboxylic acid
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.20260508 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS126959-38-4
- Purity/Analytical Methods: >99.0%
126959-38-4 / 2-propan-2-ylpyrazolo[1,5-a]pyridine-3-carboxylic acid
Basic Information
CAS
126959-38-4
Multi CAS
No
Molecular Formula
C11H12N2O2
Molecular Weight
204.220000
Exact Mass
204.089878
SMILES
CC(C)C1=NN2C=CC=CC2=C1C(=O)O
InChI
InChI=1S/C11H12N2O2/c1-7(2)10-9(11(14)15)8-5-3-4-6-13(8)12-10/h3-7H,1-2H3,(H,14,15)
InChIKey
FQHPPVGWWBCWLR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.24
TPSA
54.6
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.8
Consensus LogP
1.95
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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