1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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

C146H152F5N13O20 — CID 158649454

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 (PubChem CID 158649454) has the molecular formula C146H152F5N13O20 and a molecular weight of 2503.88 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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
• PubChem CID: 158649454
• Molecular Formula: C146H152F5N13O20
• Molecular Weight: 2503.88 g/mol
• Exact Mass: 2502.12
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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
• 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)CC#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2[nH]1.CC(C)(CC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1
• InChI: InChI=1S/C27H27F2N3O4.C25H26F2N2O4.C24H24N2O5.C24H26N2O2.C23H23FN2O3.C23H26N2O2/c1-25(2,3)23-13-16-12-18(5-6-20(16)32(23)15-19(33)8-11-30)31-24(34)26(9-10-26)17-4-7-21-22(14-17)36-27(28,29)35-21;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)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-4-5-18-19(10-14)29-12-28-18;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/h4-7,12-14,19,33H,8-10,15H2,1-3H3,(H,31,34);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);4-5,8-11,25H,6-7,12H2,1-3H3,(H,26,27);5-11,14-15H,12-13H2,1-4H3,(H,24,26)
• InChIKey: IBJFQOWLHKHMPB-UHFFFAOYSA-N
• XLogP: 29.60
• TPSA: 430.61 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2503.88
LogP ≤ 5	29.60
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 (CID 158649454) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 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)CC#N.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c(F)cc2[nH]1.CC(C)(CC(=O)O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)cc1.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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?

The InChIKey is IBJFQOWLHKHMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O4.C25H26F2N2O4.C24H24N2O5.C24H26N2O2.C23H23FN2O3.C23H26N2O2/c1-25(2,3)23-13-16-12-18(5-6-20(16)32(23)15-19(33)8-11-30)31-24(34)26(9-10-26)17-4-7-21-22(14-17)36-27(28,29)35-21;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)20-9-13-8-17(15(24)11-16(13)25-20)26-21(27)23(6-7-23)14-4-5-18-19(10-14)29-12-28-18;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/h4-7,12-14,19,33H,8-10,15H2,1-3H3,(H,31,34);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);4-5,8-11,25H,6-7,12H2,1-3H3,(H,26,27);5-11,14-15H,12-13H2,1-4H3,(H,24,26).

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 has a molecular weight of 2503.88 g/mol, XLogP of 29.60, 27 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;N-[2-tert-butyl-1-(3-cyano-2-hydroxypropyl)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 is sourced from PubChem (CID 158649454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).