N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide

C124H104Cl4F12N24O18 — CID 162154316

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide (PubChem CID 162154316) has the molecular formula C124H104Cl4F12N24O18 and a molecular weight of 2588.13 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide
• PubChem CID: 162154316
• Molecular Formula: C124H104Cl4F12N24O18
• Molecular Weight: 2588.13 g/mol
• Exact Mass: 2584.65
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide
• SMILES: CC(C)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(C)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c4c(cn3C)CCCC4)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c4c(cn3C)CCCC4)cn1)OC(F)(F)O2.Cn1cc2c(c1C(=O)Nc1ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn1)CCCC2.Cn1cc2c(c1C(=O)Nc1cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn1)CCCC2
• InChI: InChI=1S/C23H21F2N3O3.C22H18ClF2N3O3.C22H20F2N4O3.C21H17ClF2N4O3.2C18H14ClF2N5O3/c1-13-9-18-19(31-23(24,25)30-18)10-17(13)14-7-8-20(26-11-14)27-22(29)21-16-6-4-3-5-15(16)12-28(21)2;1-28-11-13-4-2-3-5-14(13)20(28)21(29)27-19-7-6-12(10-26-19)15-8-17-18(9-16(15)23)31-22(24,25)30-17;1-12-7-17-18(31-22(23,24)30-17)8-15(12)16-9-26-19(10-25-16)27-21(29)20-14-6-4-3-5-13(14)11-28(20)2;1-28-10-11-4-2-3-5-12(11)19(28)20(29)27-18-9-25-15(8-26-18)13-6-16-17(7-14(13)22)31-21(23,24)30-16;2*1-9(2)26-13(3-4-24-26)17(27)25-16-8-22-12(7-23-16)10-5-14-15(6-11(10)19)29-18(20,21)28-14/h7-12H,3-6H2,1-2H3,(H,26,27,29);6-11H,2-5H2,1H3,(H,26,27,29);7-11H,3-6H2,1-2H3,(H,26,27,29);6-10H,2-5H2,1H3,(H,26,27,29);2*3-9H,1-2H3,(H,23,25,27)
• InChIKey: ZLPUOCHZQMZTNT-UHFFFAOYSA-N
• XLogP: 27.17
• TPSA: 469.62 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 20
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2588.13
LogP ≤ 5	27.17
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

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-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide (CID 162154316) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide.

What is the SMILES notation for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide?

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide is CC(C)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(C)n1nccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3c4c(cn3C)CCCC4)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3c4c(cn3C)CCCC4)cn1)OC(F)(F)O2.Cn1cc2c(c1C(=O)Nc1ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn1)CCCC2.Cn1cc2c(c1C(=O)Nc1cnc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn1)CCCC2.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide?

The InChIKey is ZLPUOCHZQMZTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3.C22H18ClF2N3O3.C22H20F2N4O3.C21H17ClF2N4O3.2C18H14ClF2N5O3/c1-13-9-18-19(31-23(24,25)30-18)10-17(13)14-7-8-20(26-11-14)27-22(29)21-16-6-4-3-5-15(16)12-28(21)2;1-28-11-13-4-2-3-5-14(13)20(28)21(29)27-19-7-6-12(10-26-19)15-8-17-18(9-16(15)23)31-22(24,25)30-17;1-12-7-17-18(31-22(23,24)30-17)8-15(12)16-9-26-19(10-25-16)27-21(29)20-14-6-4-3-5-13(14)11-28(20)2;1-28-10-11-4-2-3-5-12(11)19(28)20(29)27-18-9-25-15(8-26-18)13-6-16-17(7-14(13)22)31-21(23,24)30-16;2*1-9(2)26-13(3-4-24-26)17(27)25-16-8-22-12(7-23-16)10-5-14-15(6-11(10)19)29-18(20,21)28-14/h7-12H,3-6H2,1-2H3,(H,26,27,29);6-11H,2-5H2,1H3,(H,26,27,29);7-11H,3-6H2,1-2H3,(H,26,27,29);6-10H,2-5H2,1H3,(H,26,27,29);2*3-9H,1-2H3,(H,23,25,27).

What are the key properties of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide?

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide has a molecular weight of 2588.13 g/mol, XLogP of 27.17, 20 rotatable bonds, 6 hydrogen bond donors, and 36 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-4,5,6,7-tetrahydroisoindole-1-carboxamide;bis(N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-propan-2-ylpyrazole-3-carboxamide);N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-methyl-4,5,6,7-tetrahydroisoindole-1-carboxamide is sourced from PubChem (CID 162154316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).