N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide

C101H71Cl2F10N17O17 — CID 158457632

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide (PubChem CID 158457632) has the molecular formula C101H71Cl2F10N17O17 and a molecular weight of 2055.67 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide
• PubChem CID: 158457632
• Molecular Formula: C101H71Cl2F10N17O17
• Molecular Weight: 2055.67 g/mol
• Exact Mass: 2053.44
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide
• SMILES: CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.Cc1cc2c(cc1-c1cnc(NC(=O)c3cc(-c4ccccc4)oc3C)cn1)OC(F)(F)O2.Cc1oc(-c2ccccc2)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1
• InChI: InChI=1S/C24H17F2N3O4.C23H14ClF2N3O4.C19H15F2N3O3.C18H14F2N4O3.C17H11ClF2N4O3/c1-13-8-20-21(33-24(25,26)32-20)9-16(13)18-11-28-22(12-27-18)29-23(30)17-10-19(31-14(17)2)15-6-4-3-5-7-15;1-12-14(7-18(31-12)13-5-3-2-4-6-13)22(30)29-21-11-27-17(10-28-21)15-8-19-20(9-16(15)24)33-23(25,26)32-19;1-10-5-6-22-17(10)18(25)24-16-4-3-12(9-23-16)13-8-15-14(7-11(13)2)26-19(20,21)27-15;1-9-3-4-21-16(9)17(25)24-15-8-22-12(7-23-15)11-6-14-13(5-10(11)2)26-18(19,20)27-14;1-8-2-3-21-15(8)16(25)24-14-7-22-11(6-23-14)9-4-12-13(5-10(9)18)27-17(19,20)26-12/h3-12H,1-2H3,(H,28,29,30);2-11H,1H3,(H,28,29,30);3-4,6-9H,5H2,1-2H3,(H,23,24,25);4-8H,3H2,1-2H3,(H,23,24,25);3-7H,2H2,1H3,(H,23,24,25)
• InChIKey: HETPSXJJTULJQJ-UHFFFAOYSA-N
• XLogP: 22.86
• TPSA: 417.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 17
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.67
LogP ≤ 5	22.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide (CID 158457632) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide is CC1=C(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2cnc(-c3cc4c(cc3C)OC(F)(F)O4)cn2)N=CC1.CC1=C(C(=O)Nc2cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)N=CC1.Cc1cc2c(cc1-c1cnc(NC(=O)c3cc(-c4ccccc4)oc3C)cn1)OC(F)(F)O2.Cc1oc(-c2ccccc2)cc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

The InChIKey is HETPSXJJTULJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O4.C23H14ClF2N3O4.C19H15F2N3O3.C18H14F2N4O3.C17H11ClF2N4O3/c1-13-8-20-21(33-24(25,26)32-20)9-16(13)18-11-28-22(12-27-18)29-23(30)17-10-19(31-14(17)2)15-6-4-3-5-7-15;1-12-14(7-18(31-12)13-5-3-2-4-6-13)22(30)29-21-11-27-17(10-28-21)15-8-19-20(9-16(15)24)33-23(25,26)32-19;1-10-5-6-22-17(10)18(25)24-16-4-3-12(9-23-16)13-8-15-14(7-11(13)2)26-19(20,21)27-15;1-9-3-4-21-16(9)17(25)24-15-8-22-12(7-23-15)11-6-14-13(5-10(11)2)26-18(19,20)27-14;1-8-2-3-21-15(8)16(25)24-14-7-22-11(6-23-14)9-4-12-13(5-10(9)18)27-17(19,20)26-12/h3-12H,1-2H3,(H,28,29,30);2-11H,1H3,(H,28,29,30);3-4,6-9H,5H2,1-2H3,(H,23,24,25);4-8H,3H2,1-2H3,(H,23,24,25);3-7H,2H2,1H3,(H,23,24,25).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide?

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide has a molecular weight of 2055.67 g/mol, XLogP of 22.86, 17 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-5-phenylfuran-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-4-methyl-3H-pyrrole-5-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-4-methyl-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 158457632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).