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CAS 911115-16-7 5-((7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)ethynyl)pyridin-2-amine molecular structure lightbox
CAS RN: 911115-16-7

5-((7-(Trifluoromethyl)-5-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)ethynyl)pyridin-2-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 5mg / 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS911115-16-7
  • Purity/Analytical Methods: >99.0%
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911115-16-7 / 5-[2-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]pyridin-2-amine

Standard CAS: 911115-16-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
911115-16-7
Multi CAS
No
Molecular Formula
C21F6H11N5
Molecular Weight
447.300000
Exact Mass
447.091864
InChI
InChI=1S/C21H11F6N5/c22-20(23,24)15-6-4-13(5-7-15)16-9-17(21(25,26)27)32-19(31-16)14(11-30-32)3-1-12-2-8-18(28)29-10-12/h2,4-11H,(H2,28,29)
InChIKey
DMJHZVARRXJSEG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
21
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
103.06
TPSA
69.1

LogP / Solubility

WLOGP
4.81
MLOGP
4.26
XLogP3
4.4
Consensus LogP
4.49
Log S (ESOL)
-6.06
Class (ESOL)
Insoluble
Log S (Ali)
-6.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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