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CAS 1352395-13-1 1H-Pyrazolo[4,3-b]pyridine-6-carbonitrile molecular structure lightbox
CAS RN: 1352395-13-1

1H-Pyrazolo[4,3-b]pyridine-6-carbonitrile

  • Product code: SSC-043268
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: >95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1352395-13-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

1352395-13-1 / 1H-pyrazolo[4,5-b]pyridine-6-carbonitrile

Standard CAS: 1352395-13-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352395-13-1
Multi CAS
No
Molecular Formula
C7H4N4
Molecular Weight
144.130000
Exact Mass
144.043596
SMILES
C1=C(C=NC2=C1NN=C2)C#N
InChI
InChI=1S/C7H4N4/c8-2-5-1-6-7(9-3-5)4-10-11-6/h1,3-4H,(H,10,11)
InChIKey
MDFHVGAGWJTLEI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.6
TPSA
65.36

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
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)
-3.01

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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