2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C102H102ClF4N9O13S — CID 159869960

About 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159869960) has the molecular formula C102H102ClF4N9O13S and a molecular weight of 1805.50 g/mol. Its IUPAC name is 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159869960
• Molecular Formula: C102H102ClF4N9O13S
• Molecular Weight: 1805.50 g/mol
• Exact Mass: 1803.69
• IUPAC Name: 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1cc(C)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CNS(=O)(=O)c1ccc(-c2nc(NC(=O)C3(c4ccc(OC)cc4)CC3)ccc2C)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(Cl)cc4)n3)CC2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(N2CCCCC2)n1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H27F2N3O3.C27H23F2NO4.C24H25N3O4S.C23H21ClN2O2.3H2/c1-18-8-10-20(31-26(18)21-6-5-7-25(32-21)33-14-3-2-4-15-33)17-24(34)27(12-13-27)19-9-11-22-23(16-19)36-28(29,30)35-22;1-15-10-18(17(3)31)12-19(11-15)25-16(2)4-6-21(30-25)14-24(32)26(8-9-26)20-5-7-22-23(13-20)34-27(28,29)33-22;1-16-4-13-21(26-22(16)17-5-11-20(12-6-17)32(29,30)25-2)27-23(28)24(14-15-24)18-7-9-19(31-3)10-8-18;1-15-3-12-20(25-21(15)16-4-8-18(24)9-5-16)26-22(27)23(13-14-23)17-6-10-19(28-2)11-7-17;;;/h5-11,16H,2-4,12-15,17H2,1H3;4-7,10-13H,8-9,14H2,1-3H3;4-13,25H,14-15H2,1-3H3,(H,26,27,28);3-12H,13-14H2,1-2H3,(H,25,26,27);3*1H
• InChIKey: NSFGYCNHLRTNFA-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 278.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.50
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 159869960) is 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

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

The canonical SMILES for 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)c1cc(C)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CNS(=O)(=O)c1ccc(-c2nc(NC(=O)C3(c4ccc(OC)cc4)CC3)ccc2C)cc1.COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4ccc(Cl)cc4)n3)CC2)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(N2CCCCC2)n1.[H][H].[H][H].[H][H].

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

The InChIKey is NSFGYCNHLRTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N3O3.C27H23F2NO4.C24H25N3O4S.C23H21ClN2O2.3H2/c1-18-8-10-20(31-26(18)21-6-5-7-25(32-21)33-14-3-2-4-15-33)17-24(34)27(12-13-27)19-9-11-22-23(16-19)36-28(29,30)35-22;1-15-10-18(17(3)31)12-19(11-15)25-16(2)4-6-21(30-25)14-24(32)26(8-9-26)20-5-7-22-23(13-20)34-27(28,29)33-22;1-16-4-13-21(26-22(16)17-5-11-20(12-6-17)32(29,30)25-2)27-23(28)24(14-15-24)18-7-9-19(31-3)10-8-18;1-15-3-12-20(25-21(15)16-4-8-18(24)9-5-16)26-22(27)23(13-14-23)17-6-10-19(28-2)11-7-17;;;/h5-11,16H,2-4,12-15,17H2,1H3;4-7,10-13H,8-9,14H2,1-3H3;4-13,25H,14-15H2,1-3H3,(H,26,27,28);3-12H,13-14H2,1-2H3,(H,25,26,27);3*1H.

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

2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 1805.50 g/mol, XLogP of 21.11, 24 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-acetyl-5-methylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;N-[6-(4-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-(6-piperidin-1-yl-2-pyridinyl)-2-pyridinyl]ethanone;1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159869960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).