N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C149H181F4N15O18 — CID 161299390

IUPACN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1COc1ccccc1.O=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O3.C27H30N2O5.C26H29N3O4.C23H25FN2O2.C23H24N4O.C20H15F3N2O3.13H2/c1-29(2,3)27-18-20-17-23(11-12-25(20)32-27)31-28(33)30(14-15-30)22-10-13-26(34-4)21(16-22)19-35-24-8-6-5-7-9-24;1-26(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;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;;;;;;;;;;;;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,28,32)(H,30,31);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,24H,4-5,10H2,(H,25,26);13*1H
InChIKeyVHKDGQJDGHQORR-UHFFFAOYSA-N
MW2546.17 g/mol
LogP34.51
Rot. Bonds29

About N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 161299390) has the molecular formula C149H181F4N15O18 and a molecular weight of 2546.17 g/mol. Its IUPAC name is N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID161299390
Molecular FormulaC149H181F4N15O18
Molecular Weight2546.17 g/mol
Exact Mass2544.36
IUPAC NameN-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1COc1ccccc1.O=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C30H32N2O3.C27H30N2O5.C26H29N3O4.C23H25FN2O2.C23H24N4O.C20H15F3N2O3.13H2/c1-29(2,3)27-18-20-17-23(11-12-25(20)32-27)31-28(33)30(14-15-30)22-10-13-26(34-4)21(16-22)19-35-24-8-6-5-7-9-24;1-26(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;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;;;;;;;;;;;;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,28,32)(H,30,31);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,24H,4-5,10H2,(H,25,26);13*1H
InChIKeyVHKDGQJDGHQORR-UHFFFAOYSA-N
XLogP34.51
TPSA436.63 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002546.17
LogP ≤ 534.51
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Analyze N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

N-[1-(3-acetamido-2-hydroxypropyl)-2-tert-butylindol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158574785
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
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate;molecular hydrogen
CID 158761898
N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[[5-(trifluoromethyl)-1H-indol-7-yl]methyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide
CID 159375198
3-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-3-methylbutanoic acid;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-methyl-1H-indole-2-carboxamide;N-[2-tert-butyl-1-(2-cyano-2-hydroxyethyl)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 hydrogen
CID 159521575
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-4-methylpentanoic acid;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 160519721
N-[1-(2-acetamidoethyl)-2-tert-butylindol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-oxobutyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-4-fluoro-1H-indol-5-yl)ethanone;N-(2-tert-butyl-1H-indol-5-yl)-1-(2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;methyl N-[3-[2-tert-butyl-5-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]indol-1-yl]-2-hydroxypropyl]carbamate
CID 161671510
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-hydroxy-3-(methylamino)propyl]indol-5-yl]cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(3-tert-butyl-1H-indol-5-yl)ethanone;1-(1,3-benzodioxol-5-yl)-N-(5-fluoro-1H-indol-6-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[6-fluoro-2-(4-hydroxy-2-methylbutan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 162100036
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-ethyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-7-fluoro-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate
CID 161181361
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-4-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-6-fluoro-1-(oxan-3-ylmethyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(1-methylbenzimidazol-5-yl)cyclopropane-1-carboxamide
CID 161778328

Frequently Asked Questions

What is the IUPAC name of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 161299390) is N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(=O)NCc1cc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc2cc(C(C)(C)C)[nH]c12.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CCCC(=O)O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5nc[nH]c5c4)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3cc4cc(C(C)(C)C)[nH]c4cc3F)CC2)cc1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1COc1ccccc1.O=C(Nc1cc2[nH]ccc2cc1C(F)(F)F)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[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 N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is VHKDGQJDGHQORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3.C27H30N2O5.C26H29N3O4.C23H25FN2O2.C23H24N4O.C20H15F3N2O3.13H2/c1-29(2,3)27-18-20-17-23(11-12-25(20)32-27)31-28(33)30(14-15-30)22-10-13-26(34-4)21(16-22)19-35-24-8-6-5-7-9-24;1-26(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;1-15(30)27-13-17-10-19(9-16-11-22(25(2,3)4)29-23(16)17)28-24(31)26(7-8-26)18-5-6-20-21(12-18)33-14-32-20;1-22(2,3)20-12-14-11-19(17(24)13-18(14)25-20)26-21(27)23(9-10-23)15-5-7-16(28-4)8-6-15;1-22(2,3)20-11-14-10-16(5-7-17(14)27-20)26-21(28)23(8-9-23)15-4-6-18-19(12-15)25-13-24-18;21-20(22,23)13-7-11-3-6-24-14(11)9-15(13)25-18(26)19(4-5-19)12-1-2-16-17(8-12)28-10-27-16;;;;;;;;;;;;;/h5-13,16-18,32H,14-15,19H2,1-4H3,(H,31,33);6-9,13-15H,4-5,10-12,16H2,1-3H3,(H,28,32)(H,30,31);5-6,9-12,29H,7-8,13-14H2,1-4H3,(H,27,30)(H,28,31);5-8,11-13,25H,9-10H2,1-4H3,(H,26,27);4-7,10-13,27H,8-9H2,1-3H3,(H,24,25)(H,26,28);1-3,6-9,24H,4-5,10H2,(H,25,26);13*1H.
What are the key properties of N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2546.17 g/mol, XLogP of 34.51, 29 rotatable bonds, 14 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(acetamidomethyl)-2-tert-butyl-1H-indol-5-yl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-(3H-benzimidazol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-tert-butylindol-1-yl]butanoic acid;1-(1,3-benzodioxol-5-yl)-N-[5-(trifluoromethyl)-1H-indol-6-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-methoxy-3-(phenoxymethyl)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 161299390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).