1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen

C155H152ClN9O23 — CID 158766305

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen (PubChem CID 158766305) has the molecular formula C155H152ClN9O23 and a molecular weight of 2544.41 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen
• PubChem CID: 158766305
• Molecular Formula: C155H152ClN9O23
• Molecular Weight: 2544.41 g/mol
• Exact Mass: 2542.07
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen
• SMILES: CCN(C)C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)c1ccccc1OC.COc1ccc(Cc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCC(O)CC1.COc1ccccc1Nc1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.O=C(Cc1ccc(Cc2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(Cc2ccccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H]
• InChI: InChI=1S/C30H32N2O5.C28H30N2O4.C25H23NO4.C24H20ClNO3.C24H22N2O4.C24H21NO3.2H2/c1-35-25-5-3-2-4-24(25)29(32-14-10-23(33)11-15-32)20-6-8-22(31-18-20)17-28(34)30(12-13-30)21-7-9-26-27(16-21)37-19-36-26;1-4-30(2)27(22-7-5-6-8-23(22)32-3)19-9-11-21(29-17-19)16-26(31)28(13-14-28)20-10-12-24-25(15-20)34-18-33-24;1-28-21-7-3-17(4-8-21)12-18-2-6-20(26-15-18)14-24(27)25(10-11-25)19-5-9-22-23(13-19)30-16-29-22;25-20-4-2-1-3-17(20)11-16-5-7-19(26-14-16)13-23(27)24(9-10-24)18-6-8-21-22(12-18)29-15-28-21;1-28-19-7-3-2-6-18(19)26-23-8-4-5-17(25-23)14-22(27)24(11-12-24)16-9-10-20-21(13-16)30-15-29-20;26-23(24(10-11-24)19-7-9-21-22(13-19)28-16-27-21)14-20-8-6-18(15-25-20)12-17-4-2-1-3-5-17;;/h2-9,16,18,23,29,33H,10-15,17,19H2,1H3;5-12,15,17,27H,4,13-14,16,18H2,1-3H3;2-9,13,15H,10-12,14,16H2,1H3;1-8,12,14H,9-11,13,15H2;2-10,13H,11-12,14-15H2,1H3,(H,25,26);1-9,13,15H,10-12,14,16H2;2*1H
• InChIKey: IPHNGEBBQFGXPZ-UHFFFAOYSA-N
• XLogP: 27.21
• TPSA: 366.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 43
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2544.41
LogP ≤ 5	27.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen (CID 158766305) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen is CCN(C)C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)c1ccccc1OC.COc1ccc(Cc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)cc1.COc1ccccc1C(c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCC(O)CC1.COc1ccccc1Nc1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.O=C(Cc1ccc(Cc2ccccc2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1ccc(Cc2ccccc2Cl)cn1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen?

The InChIKey is IPHNGEBBQFGXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O5.C28H30N2O4.C25H23NO4.C24H20ClNO3.C24H22N2O4.C24H21NO3.2H2/c1-35-25-5-3-2-4-24(25)29(32-14-10-23(33)11-15-32)20-6-8-22(31-18-20)17-28(34)30(12-13-30)21-7-9-26-27(16-21)37-19-36-26;1-4-30(2)27(22-7-5-6-8-23(22)32-3)19-9-11-21(29-17-19)16-26(31)28(13-14-28)20-10-12-24-25(15-20)34-18-33-24;1-28-21-7-3-17(4-8-21)12-18-2-6-20(26-15-18)14-24(27)25(10-11-25)19-5-9-22-23(13-19)30-16-29-22;25-20-4-2-1-3-17(20)11-16-5-7-19(26-14-16)13-23(27)24(9-10-24)18-6-8-21-22(12-18)29-15-28-21;1-28-19-7-3-2-6-18(19)26-23-8-4-5-17(25-23)14-22(27)24(11-12-24)16-9-10-20-21(13-16)30-15-29-20;26-23(24(10-11-24)19-7-9-21-22(13-19)28-16-27-21)14-20-8-6-18(15-25-20)12-17-4-2-1-3-5-17;;/h2-9,16,18,23,29,33H,10-15,17,19H2,1H3;5-12,15,17,27H,4,13-14,16,18H2,1-3H3;2-9,13,15H,10-12,14,16H2,1H3;1-8,12,14H,9-11,13,15H2;2-10,13H,11-12,14-15H2,1H3,(H,25,26);1-9,13,15H,10-12,14,16H2;2*1H.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen has a molecular weight of 2544.41 g/mol, XLogP of 27.21, 43 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(5-benzyl-2-pyridinyl)ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-chlorophenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[[ethyl(methyl)amino]-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-hydroxypiperidin-1-yl)-(2-methoxyphenyl)methyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-methoxyanilino)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(4-methoxyphenyl)methyl]-2-pyridinyl]ethanone;molecular hydrogen is sourced from PubChem (CID 158766305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).