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

C17H15F3N4O — CID 126474750

IUPAC6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCCc3ccccn3)n2c1
InChIInChI=1S/C17H15F3N4O/c1-11-5-6-13-23-15(17(18,19)20)14(24(13)10-11)16(25)22-9-7-12-4-2-3-8-21-12/h2-6,8,10H,7,9H2,1H3,(H,22,25)
InChIKeyYGBQVJBNAJWLBZ-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.03
Rot. Bonds4

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

6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 126474750) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID126474750
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C(F)(F)F)c(C(=O)NCCc3ccccn3)n2c1
InChIInChI=1S/C17H15F3N4O/c1-11-5-6-13-23-15(17(18,19)20)14(24(13)10-11)16(25)22-9-7-12-4-2-3-8-21-12/h2-6,8,10H,7,9H2,1H3,(H,22,25)
InChIKeyYGBQVJBNAJWLBZ-UHFFFAOYSA-N
XLogP3.03
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 126474750) is 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C(F)(F)F)c(C(=O)NCCc3ccccn3)n2c1.
What is the InChIKey of 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YGBQVJBNAJWLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-11-5-6-13-23-15(17(18,19)20)14(24(13)10-11)16(25)22-9-7-12-4-2-3-8-21-12/h2-6,8,10H,7,9H2,1H3,(H,22,25).
What are the key properties of 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 348.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-pyridin-2-ylethyl)-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 126474750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).