3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C143H160F4N14O21 — CID 159521575

About 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159521575) has the molecular formula C143H160F4N14O21 and a molecular weight of 2486.92 g/mol. Its IUPAC name is 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159521575
• Molecular Formula: C143H160F4N14O21
• Molecular Weight: 2486.92 g/mol
• Exact Mass: 2485.18
• IUPAC Name: 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)CCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)C#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(C)(CC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CNC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H25F2N3O4.C25H26F2N2O4.C24H24N2O5.C24H26N2O2.C23H26N2O2.C21H19N3O4.7H2/c1-24(2,3)22-11-15-10-17(5-6-19(15)31(22)14-18(32)13-29)30-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-23(2,3)21-13-15-12-17(5-6-18(15)29(21)10-11-30)28-22(31)24(8-9-24)16-4-7-19-20(14-16)33-25(26,27)32-19;1-23(2,12-21(27)28)20-10-14-9-16(4-5-17(14)26-20)25-22(29)24(7-8-24)15-3-6-18-19(11-15)31-13-30-18;1-23(2,3)21-14-16-13-18(5-6-19(16)26-21)25-22(27)24(9-10-24)17-4-7-20-15(12-17)8-11-28-20;1-22(2,3)25-14-11-16-15-18(7-10-20(16)25)24-21(26)23(12-13-23)17-5-8-19(27-4)9-6-17;1-22-19(25)16-9-12-8-14(3-4-15(12)24-16)23-20(26)21(6-7-21)13-2-5-17-18(10-13)28-11-27-17;;;;;;;/h4-7,10-12,18,32H,8-9,14H2,1-3H3,(H,30,33);4-7,12-14,30H,8-11H2,1-3H3,(H,28,31);3-6,9-11,26H,7-8,12-13H2,1-2H3,(H,25,29)(H,27,28);4-7,12-14,26H,8-11H2,1-3H3,(H,25,27);5-11,14-15H,12-13H2,1-4H3,(H,24,26);2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)(H,23,26);7*1H
• InChIKey: MBWFULZEFDOCBU-UHFFFAOYSA-N
• XLogP: 28.85
• TPSA: 459.71 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 24
• Rotatable Bonds: 27
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2486.92
LogP ≤ 5	28.85
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159521575) is 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)CCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)C#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(C)(CC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CNC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is MBWFULZEFDOCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O4.C25H26F2N2O4.C24H24N2O5.C24H26N2O2.C23H26N2O2.C21H19N3O4.7H2/c1-24(2,3)22-11-15-10-17(5-6-19(15)31(22)14-18(32)13-29)30-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;1-23(2,3)21-13-15-12-17(5-6-18(15)29(21)10-11-30)28-22(31)24(8-9-24)16-4-7-19-20(14-16)33-25(26,27)32-19;1-23(2,12-21(27)28)20-10-14-9-16(4-5-17(14)26-20)25-22(29)24(7-8-24)15-3-6-18-19(11-15)31-13-30-18;1-23(2,3)21-14-16-13-18(5-6-19(16)26-21)25-22(27)24(9-10-24)17-4-7-20-15(12-17)8-11-28-20;1-22(2,3)25-14-11-16-15-18(7-10-20(16)25)24-21(26)23(12-13-23)17-5-8-19(27-4)9-6-17;1-22-19(25)16-9-12-8-14(3-4-15(12)24-16)23-20(26)21(6-7-21)13-2-5-17-18(10-13)28-11-27-17;;;;;;;/h4-7,10-12,18,32H,8-9,14H2,1-3H3,(H,30,33);4-7,12-14,30H,8-11H2,1-3H3,(H,28,31);3-6,9-11,26H,7-8,12-13H2,1-2H3,(H,25,29)(H,27,28);4-7,12-14,26H,8-11H2,1-3H3,(H,25,27);5-11,14-15H,12-13H2,1-4H3,(H,24,26);2-5,8-10,24H,6-7,11H2,1H3,(H,22,25)(H,23,26);7*1H.

What are the key properties of 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2486.92 g/mol, XLogP of 28.85, 27 rotatable bonds, 13 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-(2-hydroxyethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxamide;N-(1-tert-butylindol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159521575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).