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CAS 1354822-17-5 ethyl 6-hydroxy-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate molecular structure lightbox
CAS RN: 1354822-17-5

ethyl 6-hydroxy-1-isopropyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250105 100mg / 500mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1354822-17-5
  • Purity/Analytical Methods: >99.0%
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1354822-17-5 / ethyl 6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridine-4-carboxylate

Standard CAS: 1354822-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354822-17-5
Multi CAS
No
Molecular Formula
C12H15N3O3
Molecular Weight
249.270000
Exact Mass
249.111341
SMILES
CCOC(=O)C1=CC(=O)NC2=C1C=NN2C(C)C
InChI
InChI=1S/C12H15N3O3/c1-4-18-12(17)8-5-10(16)14-11-9(8)6-13-15(11)7(2)3/h5-7H,4H2,1-3H3,(H,14,16)
InChIKey
GPSUODCOSZXGJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.7
TPSA
76.98

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
0.6
Consensus LogP
1.13
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately 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)
-3.19

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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