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

C15H12F3N3OS — CID 70685066

IUPAC6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cccs3)n2c1
InChIInChI=1S/C15H12F3N3OS/c1-9-4-5-11-20-13(15(16,17)18)12(21(11)8-9)14(22)19-7-10-3-2-6-23-10/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyIUPRKKOAAYFNAH-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.65
Rot. Bonds3

About 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide

6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 70685066) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID70685066
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cccs3)n2c1
InChIInChI=1S/C15H12F3N3OS/c1-9-4-5-11-20-13(15(16,17)18)12(21(11)8-9)14(22)19-7-10-3-2-6-23-10/h2-6,8H,7H2,1H3,(H,19,22)
InChIKeyIUPRKKOAAYFNAH-UHFFFAOYSA-N
XLogP3.65
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
6-pyridin-2-yl-N-thiophen-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 155551480
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)thiophene-2-carboxamide
CID 695176
N-(4-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 2467100
N-[(1R,6S)-6-amino-2,2-difluorocyclohexyl]-4-imidazo[1,2-a]pyridin-3-ylthiophene-2-carboxamide
CID 67123042
2,6-dimethyl-N-[(4-methylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71765015
N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)thiophene-2-carboxamide
CID 752234
US9776991, Example 15
CID 118112602
N-[7-methyl-2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 843190
N-(imidazo[1,2-a]pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 5310064
2,7-dimethyl-N'-(2-thienylmethylene)imidazo[1,2-a]pyridine-3-carbohydrazide
CID 5344319
N-((7-methylimidazo[1,2-a]pyridin-2-yl)methyl)thiophene-2-carboxamide
CID 7150712

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 70685066) is 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cccs3)n2c1.
What is the InChIKey of 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is IUPRKKOAAYFNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c1-9-4-5-11-20-13(15(16,17)18)12(21(11)8-9)14(22)19-7-10-3-2-6-23-10/h2-6,8H,7H2,1H3,(H,19,22).
What are the key properties of 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 339.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(thiophen-2-ylmethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 70685066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).