3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

C14H7F3N4S — CID 947304

IUPAC3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H7F3N4S/c15-14(16,17)8-5-9(7-1-3-20-4-2-7)21-13-11(8)12(19)10(6-18)22-13/h1-5H,19H2
InChIKeyTWTDHBVUMVIISM-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.83
Rot. Bonds1

About 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile

3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (PubChem CID 947304) has the molecular formula C14H7F3N4S and a molecular weight of 320.30 g/mol. Its IUPAC name is 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
PubChem CID947304
Molecular FormulaC14H7F3N4S
Molecular Weight320.30 g/mol
Exact Mass320.03
IUPAC Name3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile
SMILESN#Cc1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H7F3N4S/c15-14(16,17)8-5-9(7-1-3-20-4-2-7)21-13-11(8)12(19)10(6-18)22-13/h1-5H,19H2
InChIKeyTWTDHBVUMVIISM-UHFFFAOYSA-N
XLogP3.83
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile 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 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile (CID 947304) is 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is N#Cc1sc2nc(-c3ccncc3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
The InChIKey is TWTDHBVUMVIISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N4S/c15-14(16,17)8-5-9(7-1-3-20-4-2-7)21-13-11(8)12(19)10(6-18)22-13/h1-5H,19H2.
What are the key properties of 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile?
3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile has a molecular weight of 320.30 g/mol, XLogP of 3.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonitrile is sourced from PubChem (CID 947304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).