1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide

C138H136N8O21S2 — CID 157135037

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 157135037) has the molecular formula C138H136N8O21S2 and a molecular weight of 2306.77 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide
• PubChem CID: 157135037
• Molecular Formula: C138H136N8O21S2
• Molecular Weight: 2306.77 g/mol
• Exact Mass: 2304.93
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide
• SMILES: C=CCN(C)S(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CCC(=O)c1ccc(-c2cnc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C)cc1.CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.Cc1cc(-c2ccc(C(C)C)cc2)cnc1CC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(C(=O)N(C)C)cc1
• InChI: InChI=1S/C30H32N2O5S.C27H26N2O5S.C27H26N2O4.C27H25NO4.C27H27NO3/c1-32(24-7-3-2-4-8-24)38(34,35)25-13-10-21(11-14-25)26-9-5-6-23(31-26)19-29(33)30(16-17-30)22-12-15-27-28(18-22)37-20-36-27;1-3-15-29(2)35(31,32)22-10-7-19(8-11-22)23-6-4-5-21(28-23)17-26(30)27(13-14-27)20-9-12-24-25(16-20)34-18-33-24;1-17-22(18-4-6-19(7-5-18)26(31)29(2)3)10-9-21(28-17)15-25(30)27(12-13-27)20-8-11-23-24(14-20)33-16-32-23;1-3-23(29)19-6-4-18(5-7-19)22-15-28-21(12-17(22)2)14-26(30)27(10-11-27)20-8-9-24-25(13-20)32-16-31-24;1-17(2)19-4-6-20(7-5-19)21-12-18(3)23(28-15-21)14-26(29)27(10-11-27)22-8-9-24-25(13-22)31-16-30-24/h5-6,9-15,18,24H,2-4,7-8,16-17,19-20H2,1H3;3-12,16H,1,13-15,17-18H2,2H3;4-11,14H,12-13,15-16H2,1-3H3;4-9,12-13,15H,3,10-11,14,16H2,1-2H3;4-9,12-13,15,17H,10-11,14,16H2,1-3H3
• InChIKey: AJNGUAVNBJAKLR-UHFFFAOYSA-N
• XLogP: 24.71
• TPSA: 354.24 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2306.77
LogP ≤ 5	24.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide (CID 157135037) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C)S(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CCC(=O)c1ccc(-c2cnc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C)cc1.CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.Cc1cc(-c2ccc(C(C)C)cc2)cnc1CC(=O)C1(c2ccc3c(c2)OCO3)CC1.Cc1nc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc1-c1ccc(C(=O)N(C)C)cc1.

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide?

The InChIKey is AJNGUAVNBJAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5S.C27H26N2O5S.C27H26N2O4.C27H25NO4.C27H27NO3/c1-32(24-7-3-2-4-8-24)38(34,35)25-13-10-21(11-14-25)26-9-5-6-23(31-26)19-29(33)30(16-17-30)22-12-15-27-28(18-22)37-20-36-27;1-3-15-29(2)35(31,32)22-10-7-19(8-11-22)23-6-4-5-21(28-23)17-26(30)27(13-14-27)20-9-12-24-25(16-20)34-18-33-24;1-17-22(18-4-6-19(7-5-18)26(31)29(2)3)10-9-21(28-17)15-25(30)27(12-13-27)20-8-11-23-24(14-20)33-16-32-23;1-3-23(29)19-6-4-18(5-7-19)22-15-28-21(12-17(22)2)14-26(30)27(10-11-27)20-8-9-24-25(13-20)32-16-31-24;1-17(2)19-4-6-20(7-5-19)21-12-18(3)23(28-15-21)14-26(29)27(10-11-27)22-8-9-24-25(13-22)31-16-30-24/h5-6,9-15,18,24H,2-4,7-8,16-17,19-20H2,1H3;3-12,16H,1,13-15,17-18H2,2H3;4-11,14H,12-13,15-16H2,1-3H3;4-9,12-13,15H,3,10-11,14,16H2,1-2H3;4-9,12-13,15,17H,10-11,14,16H2,1-3H3.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 2306.77 g/mol, XLogP of 24.71, 36 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[3-methyl-5-(4-propan-2-ylphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-methyl-3-pyridinyl]-N,N-dimethylbenzamide;1-[4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-4-methyl-3-pyridinyl]phenyl]propan-1-one;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-cyclohexyl-N-methylbenzenesulfonamide;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 157135037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).