[email protected]
CAS 1211517-40-6 3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine molecular structure lightbox
CAS RN: 1211517-40-6

3-(Trifluoromethl)-1H-pyrazolo[4,3-b]pyridine

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250707 100mg / 250mg / 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1211517-40-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1211517-40-6 / 3-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine

3-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine | MFCD18256790 | 3-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine

Standard CAS: 1211517-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211517-40-6
Multi CAS
No
Molecular Formula
C7H4F3N3
Molecular Weight
187.120000
Exact Mass
187.035732
SMILES
C1=CC2=NNC(=C2N=C1)C(F)(F)F
InChI
InChI=1S/C7H4F3N3/c8-7(9,10)6-5-4(12-13-6)2-1-3-11-5/h1-3H,(H,12,13)
InChIKey
PVXRDHSMXOBFEC-UHFFFAOYSA-N
Synonyms
3-(trifluoromethyl)-1H-pyrazolo[4,3-b]pyridine MFCD18256790 3-(trifluoromethyl)-2H-pyrazolo[4,3-b]pyridine SCHEMBL2883624 PVXRDHSMXOBFEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.89
TPSA
41.57

LogP / Solubility

WLOGP
1.98
MLOGP
1.74
XLogP3
1.5
Consensus LogP
1.74
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.52
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us