1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

C126H114F2N8O19 — CID 158211761

About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158211761) has the molecular formula C126H114F2N8O19 and a molecular weight of 2082.33 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158211761
• Molecular Formula: C126H114F2N8O19
• Molecular Weight: 2082.33 g/mol
• Exact Mass: 2080.82
• IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CN(C)CCNC(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c(OC)c1.O=C(Cc1ccc(-c2cc3ccccc3o2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccc(F)cc2F)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H]
• InChI: InChI=1S/C28H29N3O4.C25H24N2O3.C25H23NO5.C25H19NO4.C23H17F2NO3.H2/c1-31(2)15-14-29-27(33)20-8-6-19(7-9-20)23-5-3-4-22(30-23)17-26(32)28(12-13-28)21-10-11-24-25(16-21)35-18-34-24;1-16(2)17-6-8-18(9-7-17)20-4-3-5-23(26-20)27-24(28)25(12-13-25)19-10-11-21-22(14-19)30-15-29-21;1-28-19-6-7-20(22(13-19)29-2)16-3-5-18(26-14-16)12-24(27)25(9-10-25)17-4-8-21-23(11-17)31-15-30-21;27-24(25(9-10-25)18-6-8-21-23(12-18)29-15-28-21)13-19-7-5-17(14-26-19)22-11-16-3-1-2-4-20(16)30-22;24-15-5-6-17(18(25)11-15)19-3-1-2-16(26-19)12-22(27)23(8-9-23)14-4-7-20-21(10-14)29-13-28-20;/h3-11,16H,12-15,17-18H2,1-2H3,(H,29,33);3-11,14,16H,12-13,15H2,1-2H3,(H,26,27,28);3-8,11,13-14H,9-10,12,15H2,1-2H3;1-8,11-12,14H,9-10,13,15H2;1-7,10-11H,8-9,12-13H2;1H
• InChIKey: GCDXICORWQUEAS-UHFFFAOYSA-N
• XLogP: 23.13
• TPSA: 318.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2082.33
LogP ≤ 5	23.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 158211761) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)c1ccc(-c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.CN(C)CCNC(=O)c1ccc(-c2cccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)n2)cc1.COc1ccc(-c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)nc2)c(OC)c1.O=C(Cc1ccc(-c2cc3ccccc3o2)cn1)C1(c2ccc3c(c2)OCO3)CC1.O=C(Cc1cccc(-c2ccc(F)cc2F)n1)C1(c2ccc3c(c2)OCO3)CC1.[H][H].

What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is GCDXICORWQUEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4.C25H24N2O3.C25H23NO5.C25H19NO4.C23H17F2NO3.H2/c1-31(2)15-14-29-27(33)20-8-6-19(7-9-20)23-5-3-4-22(30-23)17-26(32)28(12-13-28)21-10-11-24-25(16-21)35-18-34-24;1-16(2)17-6-8-18(9-7-17)20-4-3-5-23(26-20)27-24(28)25(12-13-25)19-10-11-21-22(14-19)30-15-29-21;1-28-19-6-7-20(22(13-19)29-2)16-3-5-18(26-14-16)12-24(27)25(9-10-25)17-4-8-21-23(11-17)31-15-30-21;27-24(25(9-10-25)18-6-8-21-23(12-18)29-15-28-21)13-19-7-5-17(14-26-19)22-11-16-3-1-2-4-20(16)30-22;24-15-5-6-17(18(25)11-15)19-3-1-2-16(26-19)12-22(27)23(8-9-23)14-4-7-20-21(10-14)29-13-28-20;/h3-11,16H,12-15,17-18H2,1-2H3,(H,29,33);3-11,14,16H,12-13,15H2,1-2H3,(H,26,27,28);3-8,11,13-14H,9-10,12,15H2,1-2H3;1-8,11-12,14H,9-10,13,15H2;1-7,10-11H,8-9,12-13H2;1H.

What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen?

1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2082.33 g/mol, XLogP of 23.13, 31 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(1-benzofuran-2-yl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[6-(2,4-difluorophenyl)-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2,4-dimethoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(4-propan-2-ylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158211761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).