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CAS 1256804-26-8 5-Methoxy-1H-pyrazolo[3,4-b]pyridine molecular structure lightbox
CAS RN: 1256804-26-8

5-Methoxy-1H-pyrazolo[3,4-b]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1256804-26-8
  • Purity/Analytical Methods: >99.0%
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1256804-26-8 / 5-methoxy-1H-pyrazolo[3,4-b]pyridine

Standard CAS: 1256804-26-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256804-26-8
Multi CAS
No
Molecular Formula
C7H7N3O
Molecular Weight
149.150000
Exact Mass
149.058912
SMILES
COC1=CN=C2C(=C1)C=NN2
InChI
InChI=1S/C7H7N3O/c1-11-6-2-5-3-9-10-7(5)8-4-6/h2-4H,1H3,(H,8,9,10)
InChIKey
MPAXALXOADULEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.44
TPSA
50.8

LogP / Solubility

WLOGP
0.97
MLOGP
0.84
XLogP3
0.8
Consensus LogP
0.87
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.48
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)
-2.94

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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