3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide

C22H24F3N5O5S — CID 171552982

About 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552982) has the molecular formula C22H24F3N5O5S and a molecular weight of 527.53 g/mol. Its IUPAC name is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 171552982
• Molecular Formula: C22H24F3N5O5S
• Molecular Weight: 527.53 g/mol
• Exact Mass: 527.15
• IUPAC Name: 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)n1
• InChI: InChI=1S/C22H24F3N5O5S/c1-13-10-26-19(20(27-13)34-12-22(23,24)25)35-15-4-5-16-28-17(14(2)30(16)11-15)18(31)29-21(3)6-8-36(32,33)9-7-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,29,31)
• InChIKey: ILVRHMONHIEUHV-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 124.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.53
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide (CID 171552982) is 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide is Cc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)n1.

What is the InChIKey of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is ILVRHMONHIEUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5O5S/c1-13-10-26-19(20(27-13)34-12-22(23,24)25)35-15-4-5-16-28-17(14(2)30(16)11-15)18(31)29-21(3)6-8-36(32,33)9-7-21/h4-5,10-11H,6-9,12H2,1-3H3,(H,29,31).

What are the key properties of 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide?

3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 527.53 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-6-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazin-2-yl]oxyimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).