4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide

C111H77Cl4F17N20O21S — CID 160957924

About 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide (PubChem CID 160957924) has the molecular formula C111H77Cl4F17N20O21S and a molecular weight of 2523.80 g/mol. Its IUPAC name is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide
• PubChem CID: 160957924
• Molecular Formula: C111H77Cl4F17N20O21S
• Molecular Weight: 2523.80 g/mol
• Exact Mass: 2520.38
• IUPAC Name: 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide
• SMILES: Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(F)F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)cn3C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3cnn(C)c3C(F)(F)F)nc1)OC(F)(F)O2.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(C)o1.Cc1nc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c(C)o1.Cc1snc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl
• InChI: InChI=1S/C20H16ClF2N3O3.C20H14F4N2O4.C19H13F5N4O3.C19H15F2N3O4.C17H11ClF2N4O4.C16H8Cl2F2N4O3S/c1-10-6-14-15(29-20(22,23)28-14)7-13(10)12-4-5-16(24-8-12)25-19(27)18-17(21)11(2)9-26(18)3;1-9-5-13-14(30-20(23,24)29-13)6-12(9)11-3-4-15(25-7-11)26-19(27)16-10(2)8-28-17(16)18(21)22;1-9-5-13-14(31-19(23,24)30-13)6-11(9)10-3-4-15(25-7-10)27-17(29)12-8-26-28(2)16(12)18(20,21)22;1-9-6-14-15(28-19(20,21)27-14)7-13(9)12-4-5-16(22-8-12)24-18(25)17-10(2)26-11(3)23-17;1-7-15(23-8(2)26-7)16(25)24-14-6-21-11(5-22-14)9-3-12-13(4-10(9)18)28-17(19,20)27-12;1-6-13(18)14(24-28-6)15(25)23-12-5-21-9(4-22-12)7-2-10-11(3-8(7)17)27-16(19,20)26-10/h4-9H,1-3H3,(H,24,25,27);3-8,18H,1-2H3,(H,25,26,27);3-8H,1-2H3,(H,25,27,29);4-8H,1-3H3,(H,22,24,25);3-6H,1-2H3,(H,22,24,25);2-5H,1H3,(H,22,23,25)
• InChIKey: SWQFKRYOYLMHJT-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 489.32 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 19
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2523.80
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide?

The IUPAC name of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide (CID 160957924) is 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide.

What is the SMILES notation for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide?

The canonical SMILES for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide is Cc1cc2c(cc1-c1ccc(NC(=O)c3c(C)coc3C(F)F)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3c(Cl)c(C)cn3C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3cnn(C)c3C(F)(F)F)nc1)OC(F)(F)O2.Cc1nc(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)c(C)o1.Cc1nc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c(C)o1.Cc1snc(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1Cl.

What is the InChIKey of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide?

The InChIKey is SWQFKRYOYLMHJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2N3O3.C20H14F4N2O4.C19H13F5N4O3.C19H15F2N3O4.C17H11ClF2N4O4.C16H8Cl2F2N4O3S/c1-10-6-14-15(29-20(22,23)28-14)7-13(10)12-4-5-16(24-8-12)25-19(27)18-17(21)11(2)9-26(18)3;1-9-5-13-14(30-20(23,24)29-13)6-12(9)11-3-4-15(25-7-11)26-19(27)16-10(2)8-28-17(16)18(21)22;1-9-5-13-14(31-19(23,24)30-13)6-11(9)10-3-4-15(25-7-10)27-17(29)12-8-26-28(2)16(12)18(20,21)22;1-9-6-14-15(28-19(20,21)27-14)7-13(9)12-4-5-16(22-8-12)24-18(25)17-10(2)26-11(3)23-17;1-7-15(23-8(2)26-7)16(25)24-14-6-21-11(5-22-14)9-3-12-13(4-10(9)18)28-17(19,20)27-12;1-6-13(18)14(24-28-6)15(25)23-12-5-21-9(4-22-12)7-2-10-11(3-8(7)17)27-16(19,20)26-10/h4-9H,1-3H3,(H,24,25,27);3-8,18H,1-2H3,(H,25,26,27);3-8H,1-2H3,(H,25,27,29);4-8H,1-3H3,(H,22,24,25);3-6H,1-2H3,(H,22,24,25);2-5H,1H3,(H,22,23,25).

What are the key properties of 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide?

4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide has a molecular weight of 2523.80 g/mol, XLogP of 27.78, 19 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-5-methyl-1,2-thiazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;3-chloro-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1,4-dimethylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-1-methyl-5-(trifluoromethyl)pyrazole-4-carboxamide;2-(difluoromethyl)-N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methylfuran-3-carboxamide is sourced from PubChem (CID 160957924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).