4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

C21H14F6N4S — CID 118101404

About 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine

4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 118101404) has the molecular formula C21H14F6N4S and a molecular weight of 468.43 g/mol. Its IUPAC name is 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

• Compound Name: 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
• PubChem CID: 118101404
• Molecular Formula: C21H14F6N4S
• Molecular Weight: 468.43 g/mol
• Exact Mass: 468.08
• IUPAC Name: 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
• SMILES: CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1
• InChI: InChI=1S/C21H14F6N4S/c1-32-14-10-15(18-19(21(25,26)27)30-17-4-2-3-9-31(17)18)29-16(11-14)28-13-7-5-12(6-8-13)20(22,23)24/h2-11H,1H3,(H,28,29)
• InChIKey: KWIFYXPPHUVNJP-UHFFFAOYSA-N
• XLogP: 6.90
• TPSA: 42.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.43
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The IUPAC name of 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine (CID 118101404) is 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine.

What is the SMILES notation for 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The canonical SMILES for 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is CSc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.

What is the InChIKey of 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

The InChIKey is KWIFYXPPHUVNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N4S/c1-32-14-10-15(18-19(21(25,26)27)30-17-4-2-3-9-31(17)18)29-16(11-14)28-13-7-5-12(6-8-13)20(22,23)24/h2-11H,1H3,(H,28,29).

What are the key properties of 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine?

4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 468.43 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methylsulfanyl-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 118101404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).