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CAS 1330624-42-4 N-(3-Chloro-4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine molecular structure lightbox
CAS RN: 1330624-42-4

N-(3-Chloro-4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1330624-42-4
  • Purity/Analytical Methods: >99.0%
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1330624-42-4 / N-(3-chloro-4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-3-amine

Standard CAS: 1330624-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1330624-42-4
Multi CAS
No
Molecular Formula
C12H8ClFN4
Molecular Weight
262.670000
Exact Mass
262.042152
SMILES
C1=CC2=C(C(=NN2)NC3=CC(=C(C=C3)F)Cl)N=C1
InChI
InChI=1S/C12H8ClFN4/c13-8-6-7(3-4-9(8)14)16-12-11-10(17-18-12)2-1-5-15-11/h1-6H,(H2,16,17,18)
InChIKey
SBDWTBISUBYOMI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
68.58
TPSA
53.6

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84

Drug-likeness / Medicinal Chemistry

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

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