2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen

C129H113ClF8N8O18S — CID 159318080

About 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen

2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen (PubChem CID 159318080) has the molecular formula C129H113ClF8N8O18S and a molecular weight of 2282.86 g/mol. Its IUPAC name is 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen
• PubChem CID: 159318080
• Molecular Formula: C129H113ClF8N8O18S
• Molecular Weight: 2282.86 g/mol
• Exact Mass: 2280.75
• IUPAC Name: 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen
• SMILES: CC(=O)c1ccc(C)c(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1C.CNC(=O)c1ccc(-c2nc(NC(=O)C3(c4ccc(OC)cc4)CC3)ccc2C)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(CCS(C)(=O)=O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)C=NC2.O=C(Cc1ccc(Cl)c(-c2ccccc2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H]
• InChI: InChI=1S/C28H25F2NO4.C27H25F2NO5S.C26H20F2N2O3.C25H25N3O3.C23H16ClF2NO3.H2/c1-15-6-9-21(18(4)32)17(3)25(15)26-16(2)5-8-20(31-26)14-24(33)27(11-12-27)19-7-10-22-23(13-19)35-28(29,30)34-22;1-17-3-9-21(30-25(17)19-6-4-18(5-7-19)11-14-36(2,32)33)16-24(31)26(12-13-26)20-8-10-22-23(15-20)35-27(28,29)34-22;1-15-2-6-20(30-24(15)16-3-4-17-13-29-14-18(17)10-16)12-23(31)25(8-9-25)19-5-7-21-22(11-19)33-26(27,28)32-21;1-16-4-13-21(27-22(16)17-5-7-18(8-6-17)23(29)26-2)28-24(30)25(14-15-25)19-9-11-20(31-3)12-10-19;24-17-8-7-16(27-21(17)14-4-2-1-3-5-14)13-20(28)22(10-11-22)15-6-9-18-19(12-15)30-23(25,26)29-18;/h5-10,13H,11-12,14H2,1-4H3;3-10,15H,11-14,16H2,1-2H3;2-7,10-11,14H,8-9,12-13H2,1H3;4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28,30);1-9,12H,10-11,13H2;1H
• InChIKey: LDKDMWWVTXIKCI-UHFFFAOYSA-N
• XLogP: 25.91
• TPSA: 337.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2282.86
LogP ≤ 5	25.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen?

The IUPAC name of 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen (CID 159318080) is 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen.

What is the SMILES notation for 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen?

The canonical SMILES for 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen is CC(=O)c1ccc(C)c(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1C.CNC(=O)c1ccc(-c2nc(NC(=O)C3(c4ccc(OC)cc4)CC3)ccc2C)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc(CCS(C)(=O)=O)cc1.Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1ccc2c(c1)C=NC2.O=C(Cc1ccc(Cl)c(-c2ccccc2)n1)C1(c2ccc3c(c2)OC(F)(F)O3)CC1.[H][H].

What is the InChIKey of 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen?

The InChIKey is LDKDMWWVTXIKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2NO4.C27H25F2NO5S.C26H20F2N2O3.C25H25N3O3.C23H16ClF2NO3.H2/c1-15-6-9-21(18(4)32)17(3)25(15)26-16(2)5-8-20(31-26)14-24(33)27(11-12-27)19-7-10-22-23(13-19)35-28(29,30)34-22;1-17-3-9-21(30-25(17)19-6-4-18(5-7-19)11-14-36(2,32)33)16-24(31)26(12-13-26)20-8-10-22-23(15-20)35-27(28,29)34-22;1-15-2-6-20(30-24(15)16-3-4-17-13-29-14-18(17)10-16)12-23(31)25(8-9-25)19-5-7-21-22(11-19)33-26(27,28)32-21;1-16-4-13-21(27-22(16)17-5-7-18(8-6-17)23(29)26-2)28-24(30)25(14-15-25)19-9-11-20(31-3)12-10-19;24-17-8-7-16(27-21(17)14-4-2-1-3-5-14)13-20(28)22(10-11-22)15-6-9-18-19(12-15)30-23(25,26)29-18;/h5-10,13H,11-12,14H2,1-4H3;3-10,15H,11-14,16H2,1-2H3;2-7,10-11,14H,8-9,12-13H2,1H3;4-13H,14-15H2,1-3H3,(H,26,29)(H,27,28,30);1-9,12H,10-11,13H2;1H.

What are the key properties of 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen?

2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen has a molecular weight of 2282.86 g/mol, XLogP of 25.91, 30 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-acetyl-2,6-dimethylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-(5-chloro-6-phenyl-2-pyridinyl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(1H-isoindol-5-yl)-5-methyl-2-pyridinyl]ethanone;1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-methyl-6-[4-(2-methylsulfonylethyl)phenyl]-2-pyridinyl]ethanone;4-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-methylbenzamide;molecular hydrogen is sourced from PubChem (CID 159318080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).