2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C100H107F2N9O15S2 — CID 158050091

About 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158050091) has the molecular formula C100H107F2N9O15S2 and a molecular weight of 1777.13 g/mol. Its IUPAC name is 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158050091
• Molecular Formula: C100H107F2N9O15S2
• Molecular Weight: 1777.13 g/mol
• Exact Mass: 1775.73
• IUPAC Name: 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3(C)C)n2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(S(=O)(=O)N(C)C)cc4)n3)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccccc4CO)n3)CC2)cc1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H21F2NO4.2C25H27N3O4S.C24H24N2O3.4H2/c1-15-6-8-20(29-24(15)18-5-3-4-17(12-18)16(2)30)14-23(31)25(10-11-25)19-7-9-21-22(13-19)33-26(27,28)32-21;1-17-5-14-22(26-23(17)18-6-12-21(13-7-18)33(30,31)28(2)3)27-24(29)25(15-16-25)19-8-10-20(32-4)11-9-19;1-24(2)16-25(24,18-10-12-19(32-4)13-11-18)23(29)28-22-7-5-6-21(27-22)17-8-14-20(15-9-17)33(30,31)26-3;1-16-7-12-21(25-22(16)20-6-4-3-5-17(20)15-27)26-23(28)24(13-14-24)18-8-10-19(29-2)11-9-18;;;;/h3-9,12-13H,10-11,14H2,1-2H3;5-14H,15-16H2,1-4H3,(H,26,27,29);5-15,26H,16H2,1-4H3,(H,27,28,29);3-12,27H,13-15H2,1-2H3,(H,25,26,28);4*1H
• InChIKey: FJJIKNLORGXYBJ-UHFFFAOYSA-N
• XLogP: 18.59
• TPSA: 322.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1777.13
LogP ≤ 5	18.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158050091) is 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CNS(=O)(=O)c1ccc(-c2cccc(NC(=O)C3(c4ccc(OC)cc4)CC3(C)C)n2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(S(=O)(=O)N(C)C)cc4)n3)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccccc4CO)n3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is FJJIKNLORGXYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2NO4.2C25H27N3O4S.C24H24N2O3.4H2/c1-15-6-8-20(29-24(15)18-5-3-4-17(12-18)16(2)30)14-23(31)25(10-11-25)19-7-9-21-22(13-19)33-26(27,28)32-21;1-17-5-14-22(26-23(17)18-6-12-21(13-7-18)33(30,31)28(2)3)27-24(29)25(15-16-25)19-8-10-20(32-4)11-9-19;1-24(2)16-25(24,18-10-12-19(32-4)13-11-18)23(29)28-22-7-5-6-21(27-22)17-8-14-20(15-9-17)33(30,31)26-3;1-16-7-12-21(25-22(16)20-6-4-3-5-17(20)15-27)26-23(28)24(13-14-24)18-8-10-19(29-2)11-9-18;;;;/h3-9,12-13H,10-11,14H2,1-2H3;5-14H,15-16H2,1-4H3,(H,26,27,29);5-15,26H,16H2,1-4H3,(H,27,28,29);3-12,27H,13-15H2,1-2H3,(H,25,26,28);4*1H.

What are the key properties of 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1777.13 g/mol, XLogP of 18.59, 26 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-[4-(dimethylsulfamoyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-[6-[2-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-(4-methoxyphenyl)-2,2-dimethyl-N-[6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158050091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).