![CAS 1352396-54-3 5-Chloropyrazolo[1,5-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1352396-54-3.png)
CAS RN: 1352396-54-3
5-Chloropyrazolo[1,5-a]pyridine-3-carboxylic acid
Product Availability
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4 package records4 with current stock1 grade group
- Product code: LINC901162
1352396-54-3 / 5-chloropyrazolo[1,5-a]pyridine-3-carboxylic acid
Basic Information
CAS
1352396-54-3
Multi CAS
No
Molecular Formula
C8H5ClN2O2
Molecular Weight
196.590000
Exact Mass
196.003955
SMILES
C1=CN2C(=C(C=N2)C(=O)O)C=C1Cl
InChI
InChI=1S/C8H5ClN2O2/c9-5-1-2-11-7(3-5)6(4-10-11)8(12)13/h1-4H,(H,12,13)
InChIKey
XNOFFYIZHUIKDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.16
TPSA
54.6
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
1.2
Consensus LogP
1.46
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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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