6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

C19H14F3N3O3S — CID 162600792

About 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide

6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 162600792) has the molecular formula C19H14F3N3O3S and a molecular weight of 421.40 g/mol. Its IUPAC name is 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 162600792
• Molecular Formula: C19H14F3N3O3S
• Molecular Weight: 421.40 g/mol
• Exact Mass: 421.07
• IUPAC Name: 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: CN(Cc1cccs1)C(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1O
• InChI: InChI=1S/C19H14F3N3O3S/c1-24(9-13-3-2-6-29-13)17(26)15-18(27)25-8-12(11-4-5-28-10-11)7-14(16(25)23-15)19(20,21)22/h2-8,10,27H,9H2,1H3
• InChIKey: HXKRVGNJZDWCBH-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 70.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.40
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 162600792) is 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is CN(Cc1cccs1)C(=O)c1nc2c(C(F)(F)F)cc(-c3ccoc3)cn2c1O.

What is the InChIKey of 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is HXKRVGNJZDWCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O3S/c1-24(9-13-3-2-6-29-13)17(26)15-18(27)25-8-12(11-4-5-28-10-11)7-14(16(25)23-15)19(20,21)22/h2-8,10,27H,9H2,1H3.

What are the key properties of 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide?

6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 421.40 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-3-yl)-3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 162600792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).