3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide

C22H23F3N4O5S — CID 171552786

About 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552786) has the molecular formula C22H23F3N4O5S and a molecular weight of 512.51 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 171552786
• Molecular Formula: C22H23F3N4O5S
• Molecular Weight: 512.51 g/mol
• Exact Mass: 512.13
• IUPAC Name: 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(Oc3ncccc3OCC(F)(F)F)cn12
• InChI: InChI=1S/C22H23F3N4O5S/c1-14-18(19(30)28-21(2)7-10-35(31,32)11-8-21)27-17-6-5-15(12-29(14)17)34-20-16(4-3-9-26-20)33-13-22(23,24)25/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,28,30)
• InChIKey: XQIVNDKUWZSNQS-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 111.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide (CID 171552786) is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(Oc3ncccc3OCC(F)(F)F)cn12.

What is the InChIKey of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is XQIVNDKUWZSNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O5S/c1-14-18(19(30)28-21(2)7-10-35(31,32)11-8-21)27-17-6-5-15(12-29(14)17)34-20-16(4-3-9-26-20)33-13-22(23,24)25/h3-6,9,12H,7-8,10-11,13H2,1-2H3,(H,28,30).

What are the key properties of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide?

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 512.51 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).