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CAS 1400764-19-3 3-AMinopyrazolo[1,5-a]pyriMidine TFA molecular structure lightbox
CAS RN: 1400764-19-3

3-AMinopyrazolo[1,5-a]pyriMidine TFA

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250619 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1400764-19-3
  • Purity/Analytical Methods: >99.0%
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1400764-19-3 / pyrazolo[1,5-a]pyrimidin-3-amine;2,2,2-trifluoroacetic acid

Standard CAS: 1400764-19-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1400764-19-3
Multi CAS
No
Molecular Formula
C8H7F3N4O2
Molecular Weight
248.160000
Exact Mass
248.052110
SMILES
C1=CN2C(=C(C=N2)N)N=C1.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C6H6N4.C2HF3O2/c7-5-4-9-10-3-1-2-8-6(5)10;3-2(4,5)1(6)7/h1-4H,7H2;(H,6,7)
InChIKey
JQZWCZNMIHSYKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
51.09
TPSA
93.51

LogP / Solubility

WLOGP
0.94
MLOGP
0.84
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

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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