1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen

C126H137F4N13O17 — CID 160601880

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen (PubChem CID 160601880) has the molecular formula C126H137F4N13O17 and a molecular weight of 2181.55 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen
• PubChem CID: 160601880
• Molecular Formula: C126H137F4N13O17
• Molecular Weight: 2181.55 g/mol
• Exact Mass: 2180.02
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen
• SMILES: CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1C#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CCc1nn[nH]n1.CC(C)(C)n1ccc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3[nH]2)CC1.CCOCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H34N2O5.C26H27FN6O3.C25H24N2O3.C24H23F2NO3.C23H21FN2O3.4H2/c1-5-33-16-21(31)15-30-22-8-7-20(12-18(22)13-25(30)27(2,3)4)29-26(32)28(10-11-28)19-6-9-23-24(14-19)35-17-34-23;1-25(2,3)22-11-15-10-18(17(27)13-19(15)33(22)9-6-23-29-31-32-30-23)28-24(34)26(7-8-26)16-4-5-20-21(12-16)36-14-35-20;1-24(2,3)23-18(13-26)17-10-15(4-6-19(17)27-23)11-22(28)25(8-9-25)16-5-7-20-21(12-16)30-14-29-20;1-22(2,3)27-11-8-16-12-15(4-6-18(16)27)13-21(28)23(9-10-23)17-5-7-19-20(14-17)30-24(25,26)29-19;1-22(4-5-22)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-2-3-18-19(10-14)29-12-28-18;;;;/h6-9,12-14,21,31H,5,10-11,15-17H2,1-4H3,(H,29,32);4-5,10-13H,6-9,14H2,1-3H3,(H,28,34)(H,29,30,31,32);4-7,10,12,27H,8-9,11,14H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;2-3,8-11,25H,4-7,12H2,1H3,(H,26,27);4*1H
• InChIKey: REJNPZZYSJSQMZ-UHFFFAOYSA-N
• XLogP: 25.18
• TPSA: 367.82 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2181.55
LogP ≤ 5	25.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen (CID 160601880) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen is CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1C#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2n1CCc1nn[nH]n1.CC(C)(C)n1ccc2cc(CC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3[nH]2)CC1.CCOCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen?

The InChIKey is REJNPZZYSJSQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O5.C26H27FN6O3.C25H24N2O3.C24H23F2NO3.C23H21FN2O3.4H2/c1-5-33-16-21(31)15-30-22-8-7-20(12-18(22)13-25(30)27(2,3)4)29-26(32)28(10-11-28)19-6-9-23-24(14-19)35-17-34-23;1-25(2,3)22-11-15-10-18(17(27)13-19(15)33(22)9-6-23-29-31-32-30-23)28-24(34)26(7-8-26)16-4-5-20-21(12-16)36-14-35-20;1-24(2,3)23-18(13-26)17-10-15(4-6-19(17)27-23)11-22(28)25(8-9-25)16-5-7-20-21(12-16)30-14-29-20;1-22(2,3)27-11-8-16-12-15(4-6-18(16)27)13-21(28)23(9-10-23)17-5-7-19-20(14-17)30-24(25,26)29-19;1-22(4-5-22)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-2-3-18-19(10-14)29-12-28-18;;;;/h6-9,12-14,21,31H,5,10-11,15-17H2,1-4H3,(H,29,32);4-5,10-13H,6-9,14H2,1-3H3,(H,28,34)(H,29,30,31,32);4-7,10,12,27H,8-9,11,14H2,1-3H3;4-8,11-12,14H,9-10,13H2,1-3H3;2-3,8-11,25H,4-7,12H2,1H3,(H,26,27);4*1H.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen has a molecular weight of 2181.55 g/mol, XLogP of 25.18, 26 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(3-ethoxy-2-hydroxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;5-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-tert-butyl-1H-indole-3-carbonitrile;1-(1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;2-(1-tert-butylindol-5-yl)-1-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]ethanone;molecular hydrogen is sourced from PubChem (CID 160601880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).