N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C17H16F3N3O3S — CID 154888029

IUPACN,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C(=O)N(C)Cc3ccsc3)cn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N3OS.C2HF3O2/c1-11-3-4-14-16-13(9-18(14)7-11)15(19)17(2)8-12-5-6-20-10-12;3-2(4,5)1(6)7/h3-7,9-10H,8H2,1-2H3;(H,6,7)
InChIKeyUOSRTFPBLALMBY-UHFFFAOYSA-N
MW399.39 g/mol
LogP3.61
Rot. Bonds3

About N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 154888029) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID154888029
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc2nc(C(=O)N(C)Cc3ccsc3)cn2c1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H15N3OS.C2HF3O2/c1-11-3-4-14-16-13(9-18(14)7-11)15(19)17(2)8-12-5-6-20-10-12;3-2(4,5)1(6)7/h3-7,9-10H,8H2,1-2H3;(H,6,7)
InChIKeyUOSRTFPBLALMBY-UHFFFAOYSA-N
XLogP3.61
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid 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 N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 154888029) is N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc2nc(C(=O)N(C)Cc3ccsc3)cn2c1.O=C(O)C(F)(F)F.
What is the InChIKey of N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is UOSRTFPBLALMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS.C2HF3O2/c1-11-3-4-14-16-13(9-18(14)7-11)15(19)17(2)8-12-5-6-20-10-12;3-2(4,5)1(6)7/h3-7,9-10H,8H2,1-2H3;(H,6,7).
What are the key properties of N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 399.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).