1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide

C146H131N9O25S — CID 158083181

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 158083181) has the molecular formula C146H131N9O25S and a molecular weight of 2443.76 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 158083181
• Molecular Formula: C146H131N9O25S
• Molecular Weight: 2443.76 g/mol
• Exact Mass: 2441.90
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CC(=O)Nc1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CCOc1ccccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.Cc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccccc2CO)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccoc2)n1)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C28H28N2O6S.C25H22N2O4.C25H23NO4.C24H21NO4.C24H21NO3.C20H16N2O4/c31-22-10-14-30(15-11-22)37(33,34)23-7-4-19(5-8-23)24-3-1-2-21(29-24)17-27(32)28(12-13-28)20-6-9-25-26(16-20)36-18-35-25;1-16(28)27-21-4-2-3-17(11-21)18-5-7-20(26-14-18)13-24(29)25(9-10-25)19-6-8-22-23(12-19)31-15-30-22;1-2-28-21-9-4-3-7-19(21)20-8-5-6-18(26-20)15-24(27)25(12-13-25)17-10-11-22-23(14-17)30-16-29-22;26-14-16-4-1-2-6-19(16)20-7-3-5-18(25-20)13-23(27)24(10-11-24)17-8-9-21-22(12-17)29-15-28-21;1-16-4-2-3-5-20(16)17-6-8-19(25-14-17)13-23(26)24(10-11-24)18-7-9-21-22(12-18)28-15-27-21;23-19(22-18-3-1-2-15(21-18)13-6-9-24-11-13)20(7-8-20)14-4-5-16-17(10-14)26-12-25-16/h1-9,16,22,31H,10-15,17-18H2;2-8,11-12,14H,9-10,13,15H2,1H3,(H,27,28);3-11,14H,2,12-13,15-16H2,1H3;1-9,12,26H,10-11,13-15H2;2-9,12,14H,10-11,13,15H2,1H3;1-6,9-11H,7-8,12H2,(H,21,22,23)
• InChIKey: FNEWDZYJLLPANJ-UHFFFAOYSA-N
• XLogP: 24.65
• TPSA: 431.86 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 35
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2443.76
LogP ≤ 5	24.65
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide (CID 158083181) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is CC(=O)Nc1cccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c1.CCOc1ccccc1-c1cccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)n1.Cc1ccccc1-c1ccc(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1.O=C(Cc1cccc(-c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccccc2CO)n1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Nc1cccc(-c2ccoc2)n1)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is FNEWDZYJLLPANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O6S.C25H22N2O4.C25H23NO4.C24H21NO4.C24H21NO3.C20H16N2O4/c31-22-10-14-30(15-11-22)37(33,34)23-7-4-19(5-8-23)24-3-1-2-21(29-24)17-27(32)28(12-13-28)20-6-9-25-26(16-20)36-18-35-25;1-16(28)27-21-4-2-3-17(11-21)18-5-7-20(26-14-18)13-24(29)25(9-10-25)19-6-8-22-23(12-19)31-15-30-22;1-2-28-21-9-4-3-7-19(21)20-8-5-6-18(26-20)15-24(27)25(12-13-25)17-10-11-22-23(14-17)30-16-29-22;26-14-16-4-1-2-6-19(16)20-7-3-5-18(25-20)13-23(27)24(10-11-24)17-8-9-21-22(12-17)29-15-28-21;1-16-4-2-3-5-20(16)17-6-8-19(25-14-17)13-23(26)24(10-11-24)18-7-9-21-22(12-18)28-15-27-21;23-19(22-18-3-1-2-15(21-18)13-6-9-24-11-13)20(7-8-20)14-4-5-16-17(10-14)26-12-25-16/h1-9,16,22,31H,10-15,17-18H2;2-8,11-12,14H,9-10,13,15H2,1H3,(H,27,28);3-11,14H,2,12-13,15-16H2,1H3;1-9,12,26H,10-11,13-15H2;2-9,12,14H,10-11,13,15H2,1H3;1-6,9-11H,7-8,12H2,(H,21,22,23).

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 2443.76 g/mol, XLogP of 24.65, 35 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2-ethoxyphenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[2-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-[4-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methylphenyl)-2-pyridinyl]ethanone;N-[3-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-pyridinyl]phenyl]acetamide;1-(1,3-benzodioxol-5-yl)-N-[6-(furan-3-yl)-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158083181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).