1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

C155H170F3N13O23 — CID 158411028

About 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 158411028) has the molecular formula C155H170F3N13O23 and a molecular weight of 2640.13 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• PubChem CID: 158411028
• Molecular Formula: C155H170F3N13O23
• Molecular Weight: 2640.13 g/mol
• Exact Mass: 2638.25
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
• SMILES: C=CCc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(C)c1cc2cc(NC(=O)C3(c4cc5c(cc4F)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)N1C[C@@H](O)[C@@H](O)C1.COc1cccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C)CC2)c1.O=C(c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1)N1CCCC1.[H][H]
• InChI: InChI=1S/C31H37N3O6.C27H29NO3.C26H28F2N2O5.C24H23N3O4.C24H28N2O2.C23H23FN2O3.H2/c1-30(2,3)27-14-19-13-21(32-29(38)31(10-11-31)20-6-9-25-26(15-20)40-18-39-25)7-8-22(19)34(27)12-4-5-28(37)33-16-23(35)24(36)17-33;1-5-6-19-20-13-17(7-9-21(20)28-25(19)26(2,3)4)14-24(29)27(11-12-27)18-8-10-22-23(15-18)31-16-30-22;1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)13-18(32)14-31)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;28-22(27-9-1-2-10-27)19-12-15-11-17(4-5-18(15)26-19)25-23(29)24(7-8-24)16-3-6-20-21(13-16)31-14-30-20;1-23(2,3)21-14-16-13-18(9-10-20(16)26(21)4)25-22(27)24(11-12-24)17-7-6-8-19(15-17)28-5;1-22(2,3)20-9-13-8-14(4-5-17(13)26-20)25-21(27)23(6-7-23)15-10-18-19(11-16(15)24)29-12-28-18;/h6-9,13-15,23-24,35-36H,4-5,10-12,16-18H2,1-3H3,(H,32,38);5,7-10,13,15,28H,1,6,11-12,14,16H2,2-4H3;4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);3-6,11-13,26H,1-2,7-10,14H2,(H,25,29);6-10,13-15H,11-12H2,1-5H3,(H,25,27);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);1H/t23-,24+;;18-;;;;/m..0..../s1
• InChIKey: GZHUEAUKCFFEIA-JOYAOPOYSA-N
• XLogP: 27.94
• TPSA: 447.80 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 26
• Rotatable Bonds: 30
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2640.13
LogP ≤ 5	27.94
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen (CID 158411028) is 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is C=CCc1c(C(C)(C)C)[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc12.CC(C)(C)c1cc2cc(NC(=O)C3(c4cc5c(cc4F)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1C[C@H](O)CO.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)N1C[C@@H](O)[C@@H](O)C1.COc1cccc(C2(C(=O)Nc3ccc4c(c3)cc(C(C)(C)C)n4C)CC2)c1.O=C(c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1)N1CCCC1.[H][H].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

The InChIKey is GZHUEAUKCFFEIA-JOYAOPOYSA-N. The full InChI is InChI=1S/C31H37N3O6.C27H29NO3.C26H28F2N2O5.C24H23N3O4.C24H28N2O2.C23H23FN2O3.H2/c1-30(2,3)27-14-19-13-21(32-29(38)31(10-11-31)20-6-9-25-26(15-20)40-18-39-25)7-8-22(19)34(27)12-4-5-28(37)33-16-23(35)24(36)17-33;1-5-6-19-20-13-17(7-9-21(20)28-25(19)26(2,3)4)14-24(29)27(11-12-27)18-8-10-22-23(15-18)31-16-30-22;1-24(2,3)22-11-15-10-17(5-6-19(15)30(22)13-18(32)14-31)29-23(33)25(8-9-25)16-4-7-20-21(12-16)35-26(27,28)34-20;28-22(27-9-1-2-10-27)19-12-15-11-17(4-5-18(15)26-19)25-23(29)24(7-8-24)16-3-6-20-21(13-16)31-14-30-20;1-23(2,3)21-14-16-13-18(9-10-20(16)26(21)4)25-22(27)24(11-12-24)17-7-6-8-19(15-17)28-5;1-22(2,3)20-9-13-8-14(4-5-17(13)26-20)25-21(27)23(6-7-23)15-10-18-19(11-16(15)24)29-12-28-18;/h6-9,13-15,23-24,35-36H,4-5,10-12,16-18H2,1-3H3,(H,32,38);5,7-10,13,15,28H,1,6,11-12,14,16H2,2-4H3;4-7,10-12,18,31-32H,8-9,13-14H2,1-3H3,(H,29,33);3-6,11-13,26H,1-2,7-10,14H2,(H,25,29);6-10,13-15H,11-12H2,1-5H3,(H,25,27);4-5,8-11,26H,6-7,12H2,1-3H3,(H,25,27);1H/t23-,24+;;18-;;;;/m..0..../s1.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen?

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2640.13 g/mol, XLogP of 27.94, 30 rotatable bonds, 12 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-prop-2-enyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-[2-(pyrrolidine-1-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[(2S)-2,3-dihydroxypropyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(6-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 158411028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).