1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide

C100H106F3N7O15 — CID 157241702

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide (PubChem CID 157241702) has the molecular formula C100H106F3N7O15 and a molecular weight of 1702.98 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide
• PubChem CID: 157241702
• Molecular Formula: C100H106F3N7O15
• Molecular Weight: 1702.98 g/mol
• Exact Mass: 1701.77
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide
• SMILES: CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(F)c2n1CC(O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC4(CCC4)O5)CC3)ccc2[nH]1.CC(C)(C)c1cc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2[nH]1.COc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12
• InChI: InChI=1S/C26H27F3N2O5.C26H28N2O3.C24H26N2O4.C24H25NO3/c1-24(2,3)21-9-14-8-16(11-18(27)22(14)31(21)12-17(33)13-32)30-23(34)25(6-7-25)15-4-5-19-20(10-15)36-26(28,29)35-19;1-24(2,3)22-14-16-13-18(6-7-19(16)28-22)27-23(29)25(11-12-25)17-5-8-20-21(15-17)31-26(30-20)9-4-10-26;1-23(2,3)20-10-14-9-16(12-19(28-4)21(14)26-20)25-22(27)24(7-8-24)15-5-6-17-18(11-15)30-13-29-17;1-23(2,3)21-12-16-5-4-15(10-18(16)25-21)11-22(26)24(8-9-24)17-6-7-19-20(13-17)28-14-27-19/h4-5,8-11,17,32-33H,6-7,12-13H2,1-3H3,(H,30,34);5-8,13-15,28H,4,9-12H2,1-3H3,(H,27,29);5-6,9-12,26H,7-8,13H2,1-4H3,(H,25,27);4-7,10,12-13,25H,8-9,11,14H2,1-3H3
• InChIKey: AVHGJKWHQRJXTI-UHFFFAOYSA-N
• XLogP: 20.12
• TPSA: 280.20 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1702.98
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide (CID 157241702) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc(F)c2n1CC(O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC4(CCC4)O5)CC3)ccc2[nH]1.CC(C)(C)c1cc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2[nH]1.COc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide?

The InChIKey is AVHGJKWHQRJXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O5.C26H28N2O3.C24H26N2O4.C24H25NO3/c1-24(2,3)21-9-14-8-16(11-18(27)22(14)31(21)12-17(33)13-32)30-23(34)25(6-7-25)15-4-5-19-20(10-15)36-26(28,29)35-19;1-24(2,3)22-14-16-13-18(6-7-19(16)28-22)27-23(29)25(11-12-25)17-5-8-20-21(15-17)31-26(30-20)9-4-10-26;1-23(2,3)20-10-14-9-16(12-19(28-4)21(14)26-20)25-22(27)24(7-8-24)15-5-6-17-18(11-15)30-13-29-17;1-23(2,3)21-12-16-5-4-15(10-18(16)25-21)11-22(26)24(8-9-24)17-6-7-19-20(13-17)28-14-27-19/h4-5,8-11,17,32-33H,6-7,12-13H2,1-3H3,(H,30,34);5-8,13-15,28H,4,9-12H2,1-3H3,(H,27,29);5-6,9-12,26H,7-8,13H2,1-4H3,(H,25,27);4-7,10,12-13,25H,8-9,11,14H2,1-3H3.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide?

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide has a molecular weight of 1702.98 g/mol, XLogP of 20.12, 17 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-methoxy-1H-indol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-1H-indol-6-yl)ethanone;N-[2-tert-butyl-1-(2,3-dihydroxypropyl)-7-fluoroindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-spiro[1,3-benzodioxole-2,1'-cyclobutane]-5-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 157241702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).