1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide

C119H122F4N10O19 — CID 160519721

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide (PubChem CID 160519721) has the molecular formula C119H122F4N10O19 and a molecular weight of 2072.33 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 160519721
• Molecular Formula: C119H122F4N10O19
• Molecular Weight: 2072.33 g/mol
• Exact Mass: 2070.88
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide
• SMILES: CC(C)(C)c1c[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(CCC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CNCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.O=C(Nc1cc2[nH]ccc2cc1F)C1(c2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C27H33N3O4.C25H26N2O5.C24H23F3N2O4.C24H25NO3.C19H15FN2O3/c1-26(2,3)24-12-17-11-19(6-7-21(17)30(24)15-20(31)14-28-4)29-25(32)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-24(2,8-7-22(28)29)21-12-15-11-17(4-5-18(15)27-21)26-23(30)25(9-10-25)16-3-6-19-20(13-16)32-14-31-19;1-22(2,7-8-30)20-10-13-9-17(15(25)12-16(13)28-20)29-21(31)23(5-6-23)14-3-4-18-19(11-14)33-24(26,27)32-18;1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;20-13-7-11-3-6-21-14(11)9-15(13)22-18(23)19(4-5-19)12-1-2-16-17(8-12)25-10-24-16/h5-8,11-13,20,28,31H,9-10,14-16H2,1-4H3,(H,29,32);3-6,11-13,27H,7-10,14H2,1-2H3,(H,26,30)(H,28,29);3-4,9-12,28,30H,5-8H2,1-2H3,(H,29,31);4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1-3,6-9,21H,4-5,10H2,(H,22,23)
• InChIKey: QUCPPNUIOBFKBQ-UHFFFAOYSA-N
• XLogP: 22.33
• TPSA: 383.65 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2072.33
LogP ≤ 5	22.33
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide (CID 160519721) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide is CC(C)(C)c1c[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(CCC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)c(F)cc2[nH]1.CNCC(O)Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.O=C(Nc1cc2[nH]ccc2cc1F)C1(c2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide?

The InChIKey is QUCPPNUIOBFKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4.C25H26N2O5.C24H23F3N2O4.C24H25NO3.C19H15FN2O3/c1-26(2,3)24-12-17-11-19(6-7-21(17)30(24)15-20(31)14-28-4)29-25(32)27(9-10-27)18-5-8-22-23(13-18)34-16-33-22;1-24(2,8-7-22(28)29)21-12-15-11-17(4-5-18(15)27-21)26-23(30)25(9-10-25)16-3-6-19-20(13-16)32-14-31-19;1-22(2,7-8-30)20-10-13-9-17(15(25)12-16(13)28-20)29-21(31)23(5-6-23)14-3-4-18-19(11-14)33-24(26,27)32-18;1-23(2,3)18-13-25-19-6-4-15(10-17(18)19)11-22(26)24(8-9-24)16-5-7-20-21(12-16)28-14-27-20;20-13-7-11-3-6-21-14(11)9-15(13)22-18(23)19(4-5-19)12-1-2-16-17(8-12)25-10-24-16/h5-8,11-13,20,28,31H,9-10,14-16H2,1-4H3,(H,29,32);3-6,11-13,27H,7-10,14H2,1-2H3,(H,26,30)(H,28,29);3-4,9-12,28,30H,5-8H2,1-2H3,(H,29,31);4-7,10,12-13,25H,8-9,11,14H2,1-3H3;1-3,6-9,21H,4-5,10H2,(H,22,23).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 2072.33 g/mol, XLogP of 22.33, 27 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 160519721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).