[email protected]
CAS 2054317-97-2 3-Pyridinemethanamine, 6-(4-fluoro-1H-pyrazol-1-yl)-α-methyl-, (αR)- molecular structure lightbox
CAS RN: 2054317-97-2

3-Pyridinemethanamine, 6-(4-fluoro-1H-pyrazol-1-yl)-α-methyl-, (αR)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260329 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2054317-97-2
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2054317-97-2 / (1R)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine

Standard CAS: 2054317-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2054317-97-2
Multi CAS
No
Molecular Formula
C10H11FN4
Molecular Weight
206.220000
Exact Mass
206.096775
SMILES
C[C@H](C1=CN=C(C=C1)N2C=C(C=N2)F)N
InChI
InChI=1S/C10H11FN4/c1-7(12)8-2-3-10(13-4-8)15-6-9(11)5-14-15/h2-7H,12H2,1H3/t7-/m1/s1
InChIKey
VOWGRXGCGYJWNO-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.92
TPSA
56.73

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
0.5
Consensus LogP
1.06
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately 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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us