4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

C149H163F2N15O22 — CID 158233104

About 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide (PubChem CID 158233104) has the molecular formula C149H163F2N15O22 and a molecular weight of 2554.02 g/mol. Its IUPAC name is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 158233104
• Molecular Formula: C149H163F2N15O22
• Molecular Weight: 2554.02 g/mol
• Exact Mass: 2552.21
• IUPAC Name: 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)O.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(CO)(CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CCc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.COc1cccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)c1.Cn1nnc2cc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)ccc21
• InChI: InChI=1S/C27H30N2O5.C26H28F2N2O5.C26H29NO3.C24H25N3O6.C23H25N5O.C23H26N2O2/c1-26(2,3)23-14-17-13-19(7-8-20(17)29(23)12-4-5-24(30)31)28-25(32)27(10-11-27)18-6-9-21-22(15-18)34-16-33-21;1-24(2,9-11-31)22-14-16-13-18(4-5-19(16)30(22)10-12-32)29-23(33)25(7-8-25)17-3-6-20-21(15-17)35-26(27,28)34-20;1-5-18-19-12-16(6-8-20(19)27-24(18)25(2,3)4)13-23(28)26(10-11-26)17-7-9-21-22(14-17)30-15-29-21;1-23(11-28,12-29)27-21(30)18-9-14-8-16(3-4-17(14)26-18)25-22(31)24(6-7-24)15-2-5-19-20(10-15)33-13-32-19;1-22(2,3)20-12-14-11-16(6-7-17(14)25-20)24-21(29)23(9-10-23)15-5-8-19-18(13-15)26-27-28(19)4;1-22(2,3)25-13-10-16-14-18(8-9-20(16)25)24-21(26)23(11-12-23)17-6-5-7-19(15-17)27-4/h6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,28,32)(H,30,31);3-6,13-15,31-32H,7-12H2,1-2H3,(H,29,33);6-9,12,14,27H,5,10-11,13,15H2,1-4H3;2-5,8-10,26,28-29H,6-7,11-13H2,1H3,(H,25,31)(H,27,30);5-8,11-13,25H,9-10H2,1-4H3,(H,24,29);5-10,13-15H,11-12H2,1-4H3,(H,24,26)
• InChIKey: GEPXSHCFTDIPNK-UHFFFAOYSA-N
• XLogP: 26.62
• TPSA: 485.83 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 27
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2554.02
LogP ≤ 5	26.62
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide (CID 158233104) is 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)O.CC(C)(CCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CCO.CC(CO)(CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CCc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.COc1cccc(C2(C(=O)Nc3ccc4c(ccn4C(C)(C)C)c3)CC2)c1.Cn1nnc2cc(C3(C(=O)Nc4ccc5[nH]c(C(C)(C)C)cc5c4)CC3)ccc21.

What is the InChIKey of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide?

The InChIKey is GEPXSHCFTDIPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5.C26H28F2N2O5.C26H29NO3.C24H25N3O6.C23H25N5O.C23H26N2O2/c1-26(2,3)23-14-17-13-19(7-8-20(17)29(23)12-4-5-24(30)31)28-25(32)27(10-11-27)18-6-9-21-22(15-18)34-16-33-21;1-24(2,9-11-31)22-14-16-13-18(4-5-19(16)30(22)10-12-32)29-23(33)25(7-8-25)17-3-6-20-21(15-17)35-26(27,28)34-20;1-5-18-19-12-16(6-8-20(19)27-24(18)25(2,3)4)13-23(28)26(10-11-26)17-7-9-21-22(14-17)30-15-29-21;1-23(11-28,12-29)27-21(30)18-9-14-8-16(3-4-17(14)26-18)25-22(31)24(6-7-24)15-2-5-19-20(10-15)33-13-32-19;1-22(2,3)20-12-14-11-16(6-7-17(14)25-20)24-21(29)23(9-10-23)15-5-8-19-18(13-15)26-27-28(19)4;1-22(2,3)25-13-10-16-14-18(8-9-20(16)25)24-21(26)23(11-12-23)17-6-5-7-19(15-17)27-4/h6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,28,32)(H,30,31);3-6,13-15,31-32H,7-12H2,1-2H3,(H,29,33);6-9,12,14,27H,5,10-11,13,15H2,1-4H3;2-5,8-10,26,28-29H,6-7,11-13H2,1H3,(H,25,31)(H,27,30);5-8,11-13,25H,9-10H2,1-4H3,(H,24,29);5-10,13-15H,11-12H2,1-4H3,(H,24,26).

What are the key properties of 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide?

4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide has a molecular weight of 2554.02 g/mol, XLogP of 26.62, 34 rotatable bonds, 14 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1H-indole-2-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-ethyl-1H-indol-5-yl)ethanone;N-(1-tert-butylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzotriazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[1-(2-hydroxyethyl)-2-(4-hydroxy-2-methylbutan-2-yl)indol-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158233104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).