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CAS 96604-21-6 PYRIDIN-2-YL-[7-PYRIDIN-4-YL-PYRAZOLE[1,5-A]PYRIMIDIN-3-YL]METHANONE molecular structure lightbox
CAS RN: 96604-21-6

PYRIDIN-2-YL-[7-PYRIDIN-4-YL-PYRAZOLE[1,5-A]PYRIMIDIN-3-YL]METHANONE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 25mg / 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS96604-21-6
  • Purity/Analytical Methods: >99.0%
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96604-21-6 / pyridin-2-yl-(7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl)methanone

Standard CAS: 96604-21-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96604-21-6
Multi CAS
No
Molecular Formula
C17H11N5O
Molecular Weight
301.300000
Exact Mass
301.096360
InChI
InChI=1S/C17H11N5O/c23-16(14-3-1-2-7-19-14)13-11-21-22-15(6-10-20-17(13)22)12-4-8-18-9-5-12/h1-11H
InChIKey
OQJFBUOFGHPMSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
21
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
83.89
TPSA
73.04

LogP / Solubility

WLOGP
2.42
MLOGP
2.14
XLogP3
1.5
Consensus LogP
2.02
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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