1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen

C168H188F2N16O27 — CID 159719612

IUPAC1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C#N)c2[nH]1.CC(C)(C)n1ccc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCOC(=O)C(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CCOC(=O)Cc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2[nH]c(C(C)(C)C)cc2c1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N3O5.C24H24F2N2O3.C24H23N3O3.C24H24N2O5.C24H26N2O3.C23H22N2O5.C23H24N2O3.8H2/c1-25(2,3)22(13-30)29-23(31)19-11-15-10-17(5-6-18(15)28-19)27-24(32)26(8-9-26)16-4-7-20-21(12-16)34-14-33-20;1-22(2,3)20-12-14-11-16(6-7-17(14)28(20)4)27-21(29)23(9-10-23)15-5-8-18-19(13-15)31-24(25,26)30-18;1-23(2,3)20-10-14-8-17(9-15(12-25)21(14)27-20)26-22(28)24(6-7-24)16-4-5-18-19(11-16)30-13-29-18;1-3-29-22(27)14(2)19-11-15-10-17(5-6-18(15)26-19)25-23(28)24(8-9-24)16-4-7-20-21(12-16)31-13-30-20;1-23(2,3)21-12-15-11-17(6-7-18(15)25-21)26(4)22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-2-28-21(26)12-17-10-14-9-16(4-5-18(14)24-17)25-22(27)23(7-8-23)15-3-6-19-20(11-15)30-13-29-19;1-22(2,3)25-11-8-15-12-17(5-6-18(15)25)24-21(26)23(9-10-23)16-4-7-19-20(13-16)28-14-27-19;;;;;;;;/h4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11-13H,9-10H2,1-4H3,(H,27,29);4-5,8-11,27H,6-7,13H2,1-3H3,(H,26,28);4-7,10-12,14,26H,3,8-9,13H2,1-2H3,(H,25,28);5-8,11-13,25H,9-10,14H2,1-4H3;3-6,9-11,24H,2,7-8,12-13H2,1H3,(H,25,27);4-8,11-13H,9-10,14H2,1-3H3,(H,24,26);8*1H/t22-;;;;;;;;;;;;;;/m1............../s1
InChIKeyMZWDEZBKPZGIBM-YVMBBJLJSA-N
MW2901.43 g/mol
LogP33.47
Rot. Bonds30

About 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen

1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen (PubChem CID 159719612) has the molecular formula C168H188F2N16O27 and a molecular weight of 2901.43 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen
PubChem CID159719612
Molecular FormulaC168H188F2N16O27
Molecular Weight2901.43 g/mol
Exact Mass2899.38
IUPAC Name1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen
SMILESCC(C)(C)[C@@H](CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C#N)c2[nH]1.CC(C)(C)n1ccc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCOC(=O)C(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CCOC(=O)Cc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2[nH]c(C(C)(C)C)cc2c1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C26H29N3O5.C24H24F2N2O3.C24H23N3O3.C24H24N2O5.C24H26N2O3.C23H22N2O5.C23H24N2O3.8H2/c1-25(2,3)22(13-30)29-23(31)19-11-15-10-17(5-6-18(15)28-19)27-24(32)26(8-9-26)16-4-7-20-21(12-16)34-14-33-20;1-22(2,3)20-12-14-11-16(6-7-17(14)28(20)4)27-21(29)23(9-10-23)15-5-8-18-19(13-15)31-24(25,26)30-18;1-23(2,3)20-10-14-8-17(9-15(12-25)21(14)27-20)26-22(28)24(6-7-24)16-4-5-18-19(11-16)30-13-29-18;1-3-29-22(27)14(2)19-11-15-10-17(5-6-18(15)26-19)25-23(28)24(8-9-24)16-4-7-20-21(12-16)31-13-30-20;1-23(2,3)21-12-15-11-17(6-7-18(15)25-21)26(4)22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-2-28-21(26)12-17-10-14-9-16(4-5-18(14)24-17)25-22(27)23(7-8-23)15-3-6-19-20(11-15)30-13-29-19;1-22(2,3)25-11-8-15-12-17(5-6-18(15)25)24-21(26)23(9-10-23)16-4-7-19-20(13-16)28-14-27-19;;;;;;;;/h4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11-13H,9-10H2,1-4H3,(H,27,29);4-5,8-11,27H,6-7,13H2,1-3H3,(H,26,28);4-7,10-12,14,26H,3,8-9,13H2,1-2H3,(H,25,28);5-8,11-13,25H,9-10,14H2,1-4H3;3-6,9-11,24H,2,7-8,12-13H2,1H3,(H,25,27);4-8,11-13H,9-10,14H2,1-3H3,(H,24,26);8*1H/t22-;;;;;;;;;;;;;;/m1............../s1
InChIKeyMZWDEZBKPZGIBM-YVMBBJLJSA-N
XLogP33.47
TPSA538.66 Ų
H-Bond Donors13
H-Bond Acceptors30
Rotatable Bonds30
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002901.43
LogP ≤ 533.47
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1030

Analyze 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen (CID 159719612) is 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen is CC(C)(C)[C@@H](CO)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc(C#N)c2[nH]1.CC(C)(C)n1ccc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc21.CCOC(=O)C(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CCOC(=O)Cc1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CN(C(=O)C1(c2ccc3c(c2)OCO3)CC1)c1ccc2[nH]c(C(C)(C)C)cc2c1.Cn1c(C(C)(C)C)cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc21.[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-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen?
The InChIKey is MZWDEZBKPZGIBM-YVMBBJLJSA-N. The full InChI is InChI=1S/C26H29N3O5.C24H24F2N2O3.C24H23N3O3.C24H24N2O5.C24H26N2O3.C23H22N2O5.C23H24N2O3.8H2/c1-25(2,3)22(13-30)29-23(31)19-11-15-10-17(5-6-18(15)28-19)27-24(32)26(8-9-26)16-4-7-20-21(12-16)34-14-33-20;1-22(2,3)20-12-14-11-16(6-7-17(14)28(20)4)27-21(29)23(9-10-23)15-5-8-18-19(13-15)31-24(25,26)30-18;1-23(2,3)20-10-14-8-17(9-15(12-25)21(14)27-20)26-22(28)24(6-7-24)16-4-5-18-19(11-16)30-13-29-18;1-3-29-22(27)14(2)19-11-15-10-17(5-6-18(15)26-19)25-23(28)24(8-9-24)16-4-7-20-21(12-16)31-13-30-20;1-23(2,3)21-12-15-11-17(6-7-18(15)25-21)26(4)22(27)24(9-10-24)16-5-8-19-20(13-16)29-14-28-19;1-2-28-21(26)12-17-10-14-9-16(4-5-18(14)24-17)25-22(27)23(7-8-23)15-3-6-19-20(11-15)30-13-29-19;1-22(2,3)25-11-8-15-12-17(5-6-18(15)25)24-21(26)23(9-10-23)16-4-7-19-20(13-16)28-14-27-19;;;;;;;;/h4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11-13H,9-10H2,1-4H3,(H,27,29);4-5,8-11,27H,6-7,13H2,1-3H3,(H,26,28);4-7,10-12,14,26H,3,8-9,13H2,1-2H3,(H,25,28);5-8,11-13,25H,9-10,14H2,1-4H3;3-6,9-11,24H,2,7-8,12-13H2,1H3,(H,25,27);4-8,11-13H,9-10,14H2,1-3H3,(H,24,26);8*1H/t22-;;;;;;;;;;;;;;/m1............../s1.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen?
1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen has a molecular weight of 2901.43 g/mol, XLogP of 33.47, 30 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-7-cyano-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(1-tert-butylindol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)-N-methylcyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;N-(2-tert-butyl-1-methylindol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]acetate;ethyl 2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]propanoate;molecular hydrogen is sourced from PubChem (CID 159719612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).