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CAS 105684-53-5 4-(Piperazin-1-yl)-1H-indazole molecular structure lightbox
CAS RN: 105684-53-5

4-(Piperazin-1-yl)-1H-indazole

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260214 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS105684-53-5
  • Purity/Analytical Methods: >99.0%
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105684-53-5 / 4-piperazin-1-yl-1H-indazole

4-(Piperazin-1-yl)-1H-indazole | 4-piperazin-1-yl-1H-indazole | MFCD13193487

Standard CAS: 105684-53-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
105684-53-5
Multi CAS
Yes
Molecular Formula
C11H14N4
Molecular Weight
202.260000
Exact Mass
202.121846
SMILES
C1CN(CCN1)C2=CC=CC3=C2C=NN3
InChI
InChI=1S/C11H14N4/c1-2-10-9(8-13-14-10)11(3-1)15-6-4-12-5-7-15/h1-3,8,12H,4-7H2,(H,13,14)
InChIKey
BBAXLVJLDXGKRM-UHFFFAOYSA-N
Synonyms
4-(Piperazin-1-yl)-1H-indazole 4-piperazin-1-yl-1H-indazole MFCD13193487 SCHEMBL4437263 SCHEMBL12842830

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.18
TPSA
43.95

LogP / Solubility

WLOGP
0.97
MLOGP
0.86
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-3.26

Drug-likeness / Medicinal Chemistry

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

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