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CAS 170245-18-8 3H-Imidazo[4,5-b]pyridine molecular structure lightbox
CAS RN: 170245-18-8

3H-Imidazo[4,5-b]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250122 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: LINH895588
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170245-18-8 / 1H-imidazo[4,5-b]pyridine

Standard CAS: 170245-18-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170245-18-8
Multi CAS
No
Molecular Formula
C6H5N3
Molecular Weight
119.120000
Exact Mass
119.048347
SMILES
C1=CC2=C(N=C1)N=CN2
InChI
InChI=1S/C6H5N3/c1-2-5-6(7-3-1)9-4-8-5/h1-4H,(H,7,8,9)
InChIKey
GAMYYCRTACQSBR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.89
TPSA
41.57

LogP / Solubility

WLOGP
0.96
MLOGP
0.83
XLogP3
0.3
Consensus LogP
0.7
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.23
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (98.6%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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