2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

C16H13F3N4O2S — CID 99636279

IUPAC2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(=O)c1cccnc1OCC(F)(F)F)C2
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)8-25-14-10(2-1-4-22-14)15(24)23-5-3-9-11(6-20)13(21)26-12(9)7-23/h1-2,4H,3,5,7-8,21H2
InChIKeyLOKQPAGDPMIHFC-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.74
Rot. Bonds3

About 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile

2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (PubChem CID 99636279) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
PubChem CID99636279
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c(N)sc2c1CCN(C(=O)c1cccnc1OCC(F)(F)F)C2
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)8-25-14-10(2-1-4-22-14)15(24)23-5-3-9-11(6-20)13(21)26-12(9)7-23/h1-2,4H,3,5,7-8,21H2
InChIKeyLOKQPAGDPMIHFC-UHFFFAOYSA-N
XLogP2.74
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-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 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile (CID 99636279) is 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is N#Cc1c(N)sc2c1CCN(C(=O)c1cccnc1OCC(F)(F)F)C2.
What is the InChIKey of 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
The InChIKey is LOKQPAGDPMIHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)8-25-14-10(2-1-4-22-14)15(24)23-5-3-9-11(6-20)13(21)26-12(9)7-23/h1-2,4H,3,5,7-8,21H2.
What are the key properties of 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile?
2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile has a molecular weight of 382.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 99636279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).