2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C18H20F3N5OS — CID 167209269

About 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine

2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 167209269) has the molecular formula C18H20F3N5OS and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• PubChem CID: 167209269
• Molecular Formula: C18H20F3N5OS
• Molecular Weight: 411.45 g/mol
• Exact Mass: 411.13
• IUPAC Name: 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• SMILES: CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2n1CC(C)CC2
• InChI: InChI=1S/C18H20F3N5OS/c1-4-28(27)17-15(24-14-6-5-10(2)9-26(14)17)16-23-11-7-13(18(19,20)21)22-8-12(11)25(16)3/h7-8,10H,4-6,9H2,1-3H3
• InChIKey: AOVNJXVEOIUEBO-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.45
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The IUPAC name of 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 167209269) is 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

What is the SMILES notation for 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The canonical SMILES for 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCS(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2n1CC(C)CC2.

What is the InChIKey of 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

The InChIKey is AOVNJXVEOIUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5OS/c1-4-28(27)17-15(24-14-6-5-10(2)9-26(14)17)16-23-11-7-13(18(19,20)21)22-8-12(11)25(16)3/h7-8,10H,4-6,9H2,1-3H3.

What are the key properties of 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine?

2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 411.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethylsulfinyl-6-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 167209269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).