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CAS 1638764-68-7 3-iodo-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile molecular structure lightbox
CAS RN: 1638764-68-7

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

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250621 100mg In stock Shanghai Inquiry
Batchno.20260413 1g In stock Shanghai Inquiry
Batchno.20260302 250mg In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-071375
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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 1638764-68-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1638764-68-7 / 3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile

Standard CAS: 1638764-68-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1638764-68-7
Multi CAS
No
Molecular Formula
C7H3IN4
Molecular Weight
270.030000
Exact Mass
269.940240
SMILES
C1=C(C=NC2=NNC(=C21)I)C#N
InChI
InChI=1S/C7H3IN4/c8-6-5-1-4(2-9)3-10-7(5)12-11-6/h1,3H,(H,10,11,12)
InChIKey
FGLFOYGIWBCTKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.32
TPSA
65.36

LogP / Solubility

WLOGP
1.43
MLOGP
1.27
XLogP3
1.2
Consensus LogP
1.3
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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