[email protected]
CAS 2120398-39-0 5-((5-(2-(3-aminopropoxy)-4-fluoro-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile molecular structure lightbox
CAS RN: 2120398-39-0

5-((5-(2-(3-aminopropoxy)-4-fluoro-6-methoxyphenyl)-1H-pyrazol-3-yl)amino)pyrazine-2-carbonitrile

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260131 100mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2120398-39-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2120398-39-0 / 5-[[5-[2-(3-aminopropoxy)-4-fluoro-6-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

Standard CAS: 2120398-39-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2120398-39-0
Multi CAS
No
Molecular Formula
C18H18FN7O2
Molecular Weight
383.400000
Exact Mass
383.150601
SMILES
COC1=C(C(=CC(=C1)F)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N
InChI
InChI=1S/C18H18FN7O2/c1-27-14-5-11(19)6-15(28-4-2-3-20)18(14)13-7-16(26-25-13)24-17-10-22-12(8-21)9-23-17/h5-7,9-10H,2-4,20H2,1H3,(H2,23,24,25,26)
InChIKey
CAAWSPMLCMFRMK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.22
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
3
Molar refractivity
99.73
TPSA
134.76

LogP / Solubility

WLOGP
2.36
MLOGP
2.1
XLogP3
1.5
Consensus LogP
1.99
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us