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CAS 74420-16-9 1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI) molecular structure lightbox
CAS RN: 74420-16-9

1H-Pyrrolo[2,3-b]pyridine-3-carboxamide(9CI)

  • Product code: SSC-183882
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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 74420-16-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

74420-16-9 / 1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Standard CAS: 74420-16-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
74420-16-9
Multi CAS
Yes
Molecular Formula
C8H7N3O
Molecular Weight
161.160000
Exact Mass
161.058912
InChI
InChI=1S/C8H7N3O/c9-7(12)6-4-11-8-5(6)2-1-3-10-8/h1-4H,(H2,9,12)(H,10,11)
InChIKey
CQZYCDBHEULOFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
44.61
TPSA
71.77

LogP / Solubility

WLOGP
0.66
MLOGP
0.58
XLogP3
0.2
Consensus LogP
0.48
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.23

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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