6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine

C11H7F3N4S — CID 52948700

IUPAC6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C11H7F3N4S/c12-11(13,14)5-4-6(7-2-1-3-19-7)16-10-8(5)9(15)17-18-10/h1-4H,(H3,15,16,17,18)
InChIKeyYUHMIICGWLXAAD-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.29
Rot. Bonds1

About 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine

6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 52948700) has the molecular formula C11H7F3N4S and a molecular weight of 284.27 g/mol. Its IUPAC name is 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID52948700
Molecular FormulaC11H7F3N4S
Molecular Weight284.27 g/mol
Exact Mass284.03
IUPAC Name6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESNc1[nH]nc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C11H7F3N4S/c12-11(13,14)5-4-6(7-2-1-3-19-7)16-10-8(5)9(15)17-18-10/h1-4H,(H3,15,16,17,18)
InChIKeyYUHMIICGWLXAAD-UHFFFAOYSA-N
XLogP3.29
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 52948700) is 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is Nc1[nH]nc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is YUHMIICGWLXAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4S/c12-11(13,14)5-4-6(7-2-1-3-19-7)16-10-8(5)9(15)17-18-10/h1-4H,(H3,15,16,17,18).
What are the key properties of 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 284.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-4-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 52948700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).