N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide

C115H93Cl3F12N26O18 — CID 158300629

About N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 158300629) has the molecular formula C115H93Cl3F12N26O18 and a molecular weight of 2461.51 g/mol. Its IUPAC name is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide
• PubChem CID: 158300629
• Molecular Formula: C115H93Cl3F12N26O18
• Molecular Weight: 2461.51 g/mol
• Exact Mass: 2458.60
• IUPAC Name: N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide
• SMILES: CC(C)n1cccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(C)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3nnc4n3CCC4)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3cccn3C(C)C)cn1)OC(F)(F)O2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1nnc2n1CCC2
• InChI: InChI=1S/2C20H18F2N4O3.2C19H15ClF2N4O3.C19H15F2N5O3.C18H12ClF2N5O3/c1-11(2)26-15(6-7-24-26)19(27)25-18-5-4-13(10-23-18)14-9-17-16(8-12(14)3)28-20(21,22)29-17;1-11(2)26-6-4-5-15(26)19(27)25-18-10-23-14(9-24-18)13-8-17-16(7-12(13)3)28-20(21,22)29-17;1-10(2)26-14(5-6-24-26)18(27)25-17-4-3-11(9-23-17)12-7-15-16(8-13(12)20)29-19(21,22)28-15;1-10(2)26-5-3-4-14(26)18(27)25-17-9-23-13(8-24-17)11-6-15-16(7-12(11)20)29-19(21,22)28-15;1-10-7-13-14(29-19(20,21)28-13)8-12(10)11-4-5-15(22-9-11)23-18(27)17-25-24-16-3-2-6-26(16)17;19-11-7-13-12(28-18(20,21)29-13)6-10(11)9-3-4-14(22-8-9)23-17(27)16-25-24-15-2-1-5-26(15)16/h4-11H,1-3H3,(H,23,25,27);4-11H,1-3H3,(H,24,25,27);3-10H,1-2H3,(H,23,25,27);3-10H,1-2H3,(H,24,25,27);4-5,7-9H,2-3,6H2,1H3,(H,22,23,27);3-4,6-8H,1-2,5H2,(H,22,23,27)
• InChIKey: GMLMLLAKKBSAHF-UHFFFAOYSA-N
• XLogP: 25.00
• TPSA: 495.40 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 38
• Rotatable Bonds: 22
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2461.51
LogP ≤ 5	25.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide?

The IUPAC name of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 158300629) is N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide.

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

The canonical SMILES for N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1cccc1C(=O)Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.CC(C)n1nccc1C(=O)Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1.Cc1cc2c(cc1-c1ccc(NC(=O)c3ccnn3C(C)C)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1ccc(NC(=O)c3nnc4n3CCC4)nc1)OC(F)(F)O2.Cc1cc2c(cc1-c1cnc(NC(=O)c3cccn3C(C)C)cn1)OC(F)(F)O2.O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1nnc2n1CCC2.

What is the InChIKey of N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide?

The InChIKey is GMLMLLAKKBSAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18F2N4O3.2C19H15ClF2N4O3.C19H15F2N5O3.C18H12ClF2N5O3/c1-11(2)26-15(6-7-24-26)19(27)25-18-5-4-13(10-23-18)14-9-17-16(8-12(14)3)28-20(21,22)29-17;1-11(2)26-6-4-5-15(26)19(27)25-18-10-23-14(9-24-18)13-8-17-16(7-12(13)3)28-20(21,22)29-17;1-10(2)26-14(5-6-24-26)18(27)25-17-4-3-11(9-23-17)12-7-15-16(8-13(12)20)29-19(21,22)28-15;1-10(2)26-5-3-4-14(26)18(27)25-17-9-23-13(8-24-17)11-6-15-16(7-12(11)20)29-19(21,22)28-15;1-10-7-13-14(29-19(20,21)28-13)8-12(10)11-4-5-15(22-9-11)23-18(27)17-25-24-16-3-2-6-26(16)17;19-11-7-13-12(28-18(20,21)29-13)6-10(11)9-3-4-14(22-8-9)23-17(27)16-25-24-15-2-1-5-26(15)16/h4-11H,1-3H3,(H,23,25,27);4-11H,1-3H3,(H,24,25,27);3-10H,1-2H3,(H,23,25,27);3-10H,1-2H3,(H,24,25,27);4-5,7-9H,2-3,6H2,1H3,(H,22,23,27);3-4,6-8H,1-2,5H2,(H,22,23,27).

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

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 2461.51 g/mol, XLogP of 25.00, 22 rotatable bonds, 6 hydrogen bond donors, and 38 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]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]-1-propan-2-ylpyrrole-2-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-3-carboxamide;N-[5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-2-pyridinyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 158300629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).