1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone

C158H148N8O23S — CID 157179155

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone (PubChem CID 157179155) has the molecular formula C158H148N8O23S and a molecular weight of 2559.02 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone
• PubChem CID: 157179155
• Molecular Formula: C158H148N8O23S
• Molecular Weight: 2559.02 g/mol
• Exact Mass: 2557.04
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone
• SMILES: CC(C)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.CCc1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.COc1ccccc1-c1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C.Cc1cc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccc(C(=O)N(C)C)cc1.Cc1ccc(CNS(=O)(=O)c2ccc(-c3cccc(CC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)o1.Cc1ccccc1-c1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C
• InChI: InChI=1S/C29H26N2O6S.C27H26N2O4.2C26H25NO3.C25H23NO4.C25H23NO3/c1-19-5-9-23(37-19)17-30-38(33,34)24-10-6-20(7-11-24)25-4-2-3-22(31-25)16-28(32)29(13-14-29)21-8-12-26-27(15-21)36-18-35-26;1-17-12-21(28-15-22(17)18-4-6-19(7-5-18)26(31)29(2)3)14-25(30)27(10-11-27)20-8-9-23-24(13-20)33-16-32-23;1-17(2)18-3-5-19(6-4-18)20-7-9-22(27-15-20)14-25(28)26(11-12-26)21-8-10-23-24(13-21)30-16-29-23;1-3-18-4-6-19(7-5-18)22-10-9-21(27-17(22)2)15-25(28)26(12-13-26)20-8-11-23-24(14-20)30-16-29-23;1-16-11-18(26-14-20(16)19-5-3-4-6-21(19)28-2)13-24(27)25(9-10-25)17-7-8-22-23(12-17)30-15-29-22;1-16-5-3-4-6-20(16)21-14-26-19(11-17(21)2)13-24(27)25(9-10-25)18-7-8-22-23(12-18)29-15-28-22/h2-12,15,30H,13-14,16-18H2,1H3;4-9,12-13,15H,10-11,14,16H2,1-3H3;3-10,13,15,17H,11-12,14,16H2,1-2H3;4-11,14H,3,12-13,15-16H2,1-2H3;3-8,11-12,14H,9-10,13,15H2,1-2H3;3-8,11-12,14H,9-10,13,15H2,1-2H3
• InChIKey: AOJFUSQEWGIPPF-UHFFFAOYSA-N
• XLogP: 29.24
• TPSA: 379.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Rotatable Bonds: 38
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2559.02
LogP ≤ 5	29.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone (CID 157179155) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone is CC(C)c1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.CCc1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2C)cc1.COc1ccccc1-c1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C.Cc1cc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ncc1-c1ccc(C(=O)N(C)C)cc1.Cc1ccc(CNS(=O)(=O)c2ccc(-c3cccc(CC(=O)C4(c5ccc6c(c5)OCO6)CC4)n3)cc2)o1.Cc1ccccc1-c1cnc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1C.

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone?

The InChIKey is AOJFUSQEWGIPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6S.C27H26N2O4.2C26H25NO3.C25H23NO4.C25H23NO3/c1-19-5-9-23(37-19)17-30-38(33,34)24-10-6-20(7-11-24)25-4-2-3-22(31-25)16-28(32)29(13-14-29)21-8-12-26-27(15-21)36-18-35-26;1-17-12-21(28-15-22(17)18-4-6-19(7-5-18)26(31)29(2)3)14-25(30)27(10-11-27)20-8-9-23-24(13-20)33-16-32-23;1-17(2)18-3-5-19(6-4-18)20-7-9-22(27-15-20)14-25(28)26(11-12-26)21-8-10-23-24(13-21)30-16-29-23;1-3-18-4-6-19(7-5-18)22-10-9-21(27-17(22)2)15-25(28)26(12-13-26)20-8-11-23-24(14-20)30-16-29-23;1-16-11-18(26-14-20(16)19-5-3-4-6-21(19)28-2)13-24(27)25(9-10-25)17-7-8-22-23(12-17)30-15-29-22;1-16-5-3-4-6-20(16)21-14-26-19(11-17(21)2)13-24(27)25(9-10-25)18-7-8-22-23(12-18)29-15-28-22/h2-12,15,30H,13-14,16-18H2,1H3;4-9,12-13,15H,10-11,14,16H2,1-3H3;3-10,13,15,17H,11-12,14,16H2,1-2H3;4-11,14H,3,12-13,15-16H2,1-2H3;3-8,11-12,14H,9-10,13,15H2,1-2H3;3-8,11-12,14H,9-10,13,15H2,1-2H3.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone has a molecular weight of 2559.02 g/mol, XLogP of 29.24, 38 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-ethylphenyl)-6-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-4-methyl-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[4-methyl-5-(2-methylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]-N,N-dimethylbenzamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 157179155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).