1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

C134H170F3N15O24S — CID 159013533

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 159013533) has the molecular formula C134H170F3N15O24S and a molecular weight of 2463.98 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 159013533
• Molecular Formula: C134H170F3N15O24S
• Molecular Weight: 2463.98 g/mol
• Exact Mass: 2462.22
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: CC(C)(C)OC(=O)NCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CNS(C)(=O)=O.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3n2C[C@H](O)CO)CC1.CN1CCN(C(=O)c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3[nH]2)CC1.CNC(=O)CCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H33N3O5.C28H33N3O4.C27H31F2N3O6S.C26H27FN2O5.C25H26N4O4.10H2/c1-26(2,3)36-25(33)29-15-27(4,5)23-13-17-12-19(7-8-20(17)31-23)30-24(32)28(10-11-28)18-6-9-21-22(14-18)35-16-34-21;1-27(2,3)24-15-18-14-20(8-9-21(18)31(24)13-5-6-25(32)29-4)30-26(33)28(11-12-28)19-7-10-22-23(16-19)35-17-34-22;1-25(2,3)23-12-16-11-18(6-7-20(16)32(23)15-19(33)14-30-39(4,35)36)31-24(34)26(9-10-26)17-5-8-21-22(13-17)38-27(28,29)37-21;1-25(4-5-25)23-9-15-8-19(18(27)11-20(15)29(23)12-17(31)13-30)28-24(32)26(6-7-26)16-2-3-21-22(10-16)34-14-33-21;1-28-8-10-29(11-9-28)23(30)20-13-16-12-18(3-4-19(16)27-20)26-24(31)25(6-7-25)17-2-5-21-22(14-17)33-15-32-21;;;;;;;;;;/h6-9,12-14,31H,10-11,15-16H2,1-5H3,(H,29,33)(H,30,32);7-10,14-16H,5-6,11-13,17H2,1-4H3,(H,29,32)(H,30,33);5-8,11-13,19,30,33H,9-10,14-15H2,1-4H3,(H,31,34);2-3,8-11,17,30-31H,4-7,12-14H2,1H3,(H,28,32);2-5,12-14,27H,6-11,15H2,1H3,(H,26,31);10*1H/t;;;17-;;;;;;;;;;;/m...0.........../s1
• InChIKey: JSUIYKFQXQKNKV-UQEBNRSSSA-N
• XLogP: 23.07
• TPSA: 482.01 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2463.98
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen (CID 159013533) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)OC(=O)NCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC(O)CNS(C)(=O)=O.CC1(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)c(F)cc3n2C[C@H](O)CO)CC1.CN1CCN(C(=O)c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3[nH]2)CC1.CNC(=O)CCCn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is JSUIYKFQXQKNKV-UQEBNRSSSA-N. The full InChI is InChI=1S/C28H33N3O5.C28H33N3O4.C27H31F2N3O6S.C26H27FN2O5.C25H26N4O4.10H2/c1-26(2,3)36-25(33)29-15-27(4,5)23-13-17-12-19(7-8-20(17)31-23)30-24(32)28(10-11-28)18-6-9-21-22(14-18)35-16-34-21;1-27(2,3)24-15-18-14-20(8-9-21(18)31(24)13-5-6-25(32)29-4)30-26(33)28(11-12-28)19-7-10-22-23(16-19)35-17-34-22;1-25(2,3)23-12-16-11-18(6-7-20(16)32(23)15-19(33)14-30-39(4,35)36)31-24(34)26(9-10-26)17-5-8-21-22(13-17)38-27(28,29)37-21;1-25(4-5-25)23-9-15-8-19(18(27)11-20(15)29(23)12-17(31)13-30)28-24(32)26(6-7-26)16-2-3-21-22(10-16)34-14-33-21;1-28-8-10-29(11-9-28)23(30)20-13-16-12-18(3-4-19(16)27-20)26-24(31)25(6-7-25)17-2-5-21-22(14-17)33-15-32-21;;;;;;;;;;/h6-9,12-14,31H,10-11,15-16H2,1-5H3,(H,29,33)(H,30,32);7-10,14-16H,5-6,11-13,17H2,1-4H3,(H,29,32)(H,30,33);5-8,11-13,19,30,33H,9-10,14-15H2,1-4H3,(H,31,34);2-3,8-11,17,30-31H,4-7,12-14H2,1H3,(H,28,32);2-5,12-14,27H,6-11,15H2,1H3,(H,26,31);10*1H/t;;;17-;;;;;;;;;;;/m...0.........../s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2463.98 g/mol, XLogP of 23.07, 32 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-(methylamino)-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[1-[(2S)-2,3-dihydroxypropyl]-6-fluoro-2-(1-methylcyclopropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(4-methylpiperazine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;tert-butyl N-[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamate;N-[2-tert-butyl-1-[2-hydroxy-3-(methanesulfonamido)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159013533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).