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

C17H17ClF3N5S — CID 134274298

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

2-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 134274298) has the molecular formula C17H17ClF3N5S and a molecular weight of 415.87 g/mol. Its IUPAC name is 2-(8-chloro-3-ethylsulfanyl-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-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• PubChem CID: 134274298
• Molecular Formula: C17H17ClF3N5S
• Molecular Weight: 415.87 g/mol
• Exact Mass: 415.08
• IUPAC Name: 2-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
• SMILES: CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2n1CCCC2Cl
• InChI: InChI=1S/C17H17ClF3N5S/c1-3-27-16-13(24-14-9(18)5-4-6-26(14)16)15-23-10-7-12(17(19,20)21)22-8-11(10)25(15)2/h7-9H,3-6H2,1-2H3
• InChIKey: UDYZIRSZVWSRSO-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 48.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.87
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-3-ethylsulfanyl-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-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 134274298) is 2-(8-chloro-3-ethylsulfanyl-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-(8-chloro-3-ethylsulfanyl-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-(8-chloro-3-ethylsulfanyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine is CCSc1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nc2n1CCCC2Cl.

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

The InChIKey is UDYZIRSZVWSRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N5S/c1-3-27-16-13(24-14-9(18)5-4-6-26(14)16)15-23-10-7-12(17(19,20)21)22-8-11(10)25(15)2/h7-9H,3-6H2,1-2H3.

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

2-(8-chloro-3-ethylsulfanyl-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 415.87 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(8-chloro-3-ethylsulfanyl-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 134274298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).