8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

C15H12F3N3O2S — CID 126469965

IUPAC8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)NCc3cccs3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H12F3N3O2S/c1-23-10-5-2-6-21-11(12(15(16,17)18)20-13(10)21)14(22)19-8-9-4-3-7-24-9/h2-7H,8H2,1H3,(H,19,22)
InChIKeyXDCBUUJGORVFJO-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.35
Rot. Bonds4

About 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126469965) has the molecular formula C15H12F3N3O2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126469965
Molecular FormulaC15H12F3N3O2S
Molecular Weight355.34 g/mol
Exact Mass355.06
IUPAC Name8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1cccn2c(C(=O)NCc3cccs3)c(C(F)(F)F)nc12
InChIInChI=1S/C15H12F3N3O2S/c1-23-10-5-2-6-21-11(12(15(16,17)18)20-13(10)21)14(22)19-8-9-4-3-7-24-9/h2-7H,8H2,1H3,(H,19,22)
InChIKeyXDCBUUJGORVFJO-UHFFFAOYSA-N
XLogP3.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126469965) is 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is COc1cccn2c(C(=O)NCc3cccs3)c(C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XDCBUUJGORVFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O2S/c1-23-10-5-2-6-21-11(12(15(16,17)18)20-13(10)21)14(22)19-8-9-4-3-7-24-9/h2-7H,8H2,1H3,(H,19,22).
What are the key properties of 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126469965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).