2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate

C60H40Cl2F8N18O6S2 — CID 167596323

About 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate

2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate (PubChem CID 167596323) has the molecular formula C60H40Cl2F8N18O6S2 and a molecular weight of 1396.12 g/mol. Its IUPAC name is 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate.

Molecular Properties

• Compound Name: 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate
• PubChem CID: 167596323
• Molecular Formula: C60H40Cl2F8N18O6S2
• Molecular Weight: 1396.12 g/mol
• Exact Mass: 1394.21
• IUPAC Name: 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate
• SMILES: CC(F)(F)c1cc(NC(=O)C(=S)Oc2ccc(-c3cnc4cnccn34)cn2)ncc1Cl.Cc1cnc(NC(=O)C(=S)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.Cc1cnc(NC(=O)C(Cl)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F
• InChI: InChI=1S/C20H14ClF3N6O2.C20H13ClF2N6O2S.C20H13F3N6O2S/c1-11-7-26-15(6-13(11)20(22,23)24)29-19(31)18(21)32-17-3-2-12(8-28-17)14-9-27-16-10-25-4-5-30(14)16;1-20(22,23)12-6-15(25-8-13(12)21)28-18(30)19(32)31-17-3-2-11(7-27-17)14-9-26-16-10-24-4-5-29(14)16;1-11-7-25-15(6-13(11)20(21,22)23)28-18(30)19(32)31-17-3-2-12(8-27-17)14-9-26-16-10-24-4-5-29(14)16/h2-10,18H,1H3,(H,26,29,31);2*2-10H,1H3,(H,25,28,30)
• InChIKey: JCQOKIGSWDOUAB-UHFFFAOYSA-N
• XLogP: 12.25
• TPSA: 282.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1396.12
LogP ≤ 5	12.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate?

The IUPAC name of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate (CID 167596323) is 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate.

What is the SMILES notation for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate?

The canonical SMILES for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate is CC(F)(F)c1cc(NC(=O)C(=S)Oc2ccc(-c3cnc4cnccn34)cn2)ncc1Cl.Cc1cnc(NC(=O)C(=S)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.Cc1cnc(NC(=O)C(Cl)Oc2ccc(-c3cnc4cnccn34)cn2)cc1C(F)(F)F.

What is the InChIKey of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate?

The InChIKey is JCQOKIGSWDOUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N6O2.C20H13ClF2N6O2S.C20H13F3N6O2S/c1-11-7-26-15(6-13(11)20(22,23)24)29-19(31)18(21)32-17-3-2-12(8-28-17)14-9-27-16-10-25-4-5-30(14)16;1-20(22,23)12-6-15(25-8-13(12)21)28-18(30)19(32)31-17-3-2-11(7-27-17)14-9-26-16-10-24-4-5-29(14)16;1-11-7-25-15(6-13(11)20(21,22)23)28-18(30)19(32)31-17-3-2-12(8-27-17)14-9-26-16-10-24-4-5-29(14)16/h2-10,18H,1H3,(H,26,29,31);2*2-10H,1H3,(H,25,28,30).

What are the key properties of 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate?

2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate has a molecular weight of 1396.12 g/mol, XLogP of 12.25, 12 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-2-[(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl)oxy]-N-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]acetamide;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-chloro-4-(1,1-difluoroethyl)-2-pyridinyl]amino]-2-oxoethanethioate;O-(5-imidazo[1,2-a]pyrazin-3-yl-2-pyridinyl) 2-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]-2-oxoethanethioate is sourced from PubChem (CID 167596323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).