2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone

C133H112F9N5O20 — CID 161027596

About 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone

2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone (PubChem CID 161027596) has the molecular formula C133H112F9N5O20 and a molecular weight of 2271.36 g/mol. Its IUPAC name is 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone
• PubChem CID: 161027596
• Molecular Formula: C133H112F9N5O20
• Molecular Weight: 2271.36 g/mol
• Exact Mass: 2269.78
• IUPAC Name: 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone
• SMILES: CC(=O)c1cc(F)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CC(=O)c1cccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.COc1cc(C(C)=O)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.O=C(Cc1cccc(-c2ccc(C3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C29H29NO3.C27H23F2NO5.C26H20F3NO4.C26H21F2NO4.C25H19F2NO4/c31-28(29(15-16-29)23-13-14-26-27(17-23)33-19-32-26)18-24-7-4-8-25(30-24)22-11-9-21(10-12-22)20-5-2-1-3-6-20;1-15-4-6-20(30-25(15)18-10-17(16(2)31)11-21(12-18)33-3)14-24(32)26(8-9-26)19-5-7-22-23(13-19)35-27(28,29)34-22;1-14-3-5-20(30-24(14)17-9-16(15(2)31)10-19(27)11-17)13-23(32)25(7-8-25)18-4-6-21-22(12-18)34-26(28,29)33-21;1-15-6-8-20(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;1-15(29)16-4-2-5-17(12-16)20-7-3-6-19(28-20)14-23(30)24(10-11-24)18-8-9-21-22(13-18)32-25(26,27)31-21/h4,7-14,17,20H,1-3,5-6,15-16,18-19H2;4-7,10-13H,8-9,14H2,1-3H3;3-6,9-12H,7-8,13H2,1-2H3;3-9,12-13H,10-11,14H2,1-2H3;2-9,12-13H,10-11,14H2,1H3
• InChIKey: TZERKMPUJCADDL-UHFFFAOYSA-N
• XLogP: 27.91
• TPSA: 319.61 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.36
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone?

The IUPAC name of 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone (CID 161027596) is 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone?

The canonical SMILES for 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone is CC(=O)c1cc(F)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.CC(=O)c1cccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)n2)c1.CC(=O)c1cccc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.COc1cc(C(C)=O)cc(-c2nc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2C)c1.O=C(Cc1cccc(-c2ccc(C3CCCCC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone?

The InChIKey is TZERKMPUJCADDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO3.C27H23F2NO5.C26H20F3NO4.C26H21F2NO4.C25H19F2NO4/c31-28(29(15-16-29)23-13-14-26-27(17-23)33-19-32-26)18-24-7-4-8-25(30-24)22-11-9-21(10-12-22)20-5-2-1-3-6-20;1-15-4-6-20(30-25(15)18-10-17(16(2)31)11-21(12-18)33-3)14-24(32)26(8-9-26)19-5-7-22-23(13-19)35-27(28,29)34-22;1-14-3-5-20(30-24(14)17-9-16(15(2)31)10-19(27)11-17)13-23(32)25(7-8-25)18-4-6-21-22(12-18)34-26(28,29)33-21;1-15-6-8-20(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;1-15(29)16-4-2-5-17(12-16)20-7-3-6-19(28-20)14-23(30)24(10-11-24)18-8-9-21-22(13-18)32-25(26,27)31-21/h4,7-14,17,20H,1-3,5-6,15-16,18-19H2;4-7,10-13H,8-9,14H2,1-3H3;3-6,9-12H,7-8,13H2,1-2H3;3-9,12-13H,10-11,14H2,1-2H3;2-9,12-13H,10-11,14H2,1H3.

What are the key properties of 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone?

2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone has a molecular weight of 2271.36 g/mol, XLogP of 27.91, 31 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-acetyl-5-fluorophenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetyl-5-methoxyphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-5-methyl-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;2-[6-(3-acetylphenyl)-2-pyridinyl]-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(4-cyclohexylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 161027596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).