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CAS 1427195-44-5 Pyrazolo[1,5-a]pyridine-3,5-dicarboxylic acid 3-ethyl ester molecular structure lightbox
CAS RN: 1427195-44-5

Pyrazolo[1,5-a]pyridine-3,5-dicarboxylic acid 3-ethyl ester

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251022 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1427195-44-5
  • Purity/Analytical Methods: >99.0%
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1427195-44-5 / 3-ethoxycarbonylpyrazolo[1,5-a]pyridine-5-carboxylic acid

Standard CAS: 1427195-44-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427195-44-5
Multi CAS
No
Molecular Formula
C11H10N2O4
Molecular Weight
234.210000
Exact Mass
234.064057
SMILES
CCOC(=O)C1=C2C=C(C=CN2N=C1)C(=O)O
InChI
InChI=1S/C11H10N2O4/c1-2-17-11(16)8-6-12-13-4-3-7(10(14)15)5-9(8)13/h3-6H,2H2,1H3,(H,14,15)
InChIKey
QPIKGZFYPGQUEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
58.11
TPSA
80.9

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.55
Class (SILICOS-IT)
Moderately 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)
-3.29

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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