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CAS 1189727-33-0 4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine molecular structure lightbox
CAS RN: 1189727-33-0

4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1189727-33-0
  • Purity/Analytical Methods: >99.0%
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1189727-33-0 / 4-chloro-1H-pyrazolo[3,4-c]pyridin-3-amine

4-chloro-1H-pyrazolo[3,4-c]pyridin-3-amine | 4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine | SCHEMBL17028038

Standard CAS: 1189727-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1189727-33-0
Multi CAS
No
Molecular Formula
C6H5ClN4
Molecular Weight
168.580000
Exact Mass
168.020274
SMILES
C1=C2C(=C(C=N1)Cl)C(=NN2)N
InChI
InChI=1S/C6H5ClN4/c7-3-1-9-2-4-5(3)6(8)11-10-4/h1-2H,(H3,8,10,11)
InChIKey
SIZQFRGNEMYYSN-UHFFFAOYSA-N
Synonyms
4-chloro-1H-pyrazolo[3,4-c]pyridin-3-amine 4-Chloro-1H-pyrazolo[3,4-c]pyridin-3-ylamine SCHEMBL17028038 MFCD10565606 AKOS006304317

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.31
TPSA
67.59

LogP / Solubility

WLOGP
1.19
MLOGP
1.05
XLogP3
0.8
Consensus LogP
1.01
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.9

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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