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CAS 478081-98-0 N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide molecular structure lightbox
CAS RN: 478081-98-0

N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250528 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS478081-98-0
  • Purity/Analytical Methods: >99.0%
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478081-98-0 / N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide

Standard CAS: 478081-98-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
478081-98-0
Multi CAS
No
Molecular Formula
C17H15N5O
Molecular Weight
305.330000
Exact Mass
305.127660
InChI
InChI=1S/C17H15N5O/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-22-17(20-16)14(10-18)11-19-22/h4-9,11H,3H2,1-2H3
InChIKey
ZMUMYMWAIXXLIY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
86.84
TPSA
74.29

LogP / Solubility

WLOGP
2.64
MLOGP
2.34
XLogP3
1
Consensus LogP
1.99
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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