5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

C170H201ClF3N21O23 — CID 157254229

IUPAC5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(OCc5ccccc5)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)ccc2[nH]1.CC(C)(CCc1nn[nH]n1)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CNC(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1CO.O=C(NCCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.[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/C29H29ClN2O2.C25H26N6O3.C24H25N3O4.C24H28N2O3.C23H23F3N2O2.C23H23N3O4.C22H21N3O5.13H2/c1-28(2,3)26-16-20-15-22(10-12-24(20)32-26)31-27(33)29(13-14-29)21-9-11-23(30)25(17-21)34-18-19-7-5-4-6-8-19;1-24(2,8-7-22-28-30-31-29-22)21-12-15-11-17(4-5-18(15)27-21)26-23(32)25(9-10-25)16-3-6-19-20(13-16)34-14-33-19;1-23(2,21(28)25-3)20-11-14-10-16(5-6-17(14)27-20)26-22(29)24(8-9-24)15-4-7-18-19(12-15)31-13-30-18;1-23(2,3)21-13-15-12-18(6-7-19(15)26-21)25-22(28)24(9-10-24)17-5-8-20(29-4)16(11-17)14-27;1-21(2,3)19-13-14-12-16(6-9-18(14)28-19)27-20(29)22(10-11-22)15-4-7-17(8-5-15)30-23(24,25)26;1-13(2)24-21(27)18-10-14-9-16(4-5-17(14)26-18)25-22(28)23(7-8-23)15-3-6-19-20(11-15)30-12-29-19;26-8-7-23-20(27)17-10-13-9-15(2-3-16(13)25-17)24-21(28)22(5-6-22)14-1-4-18-19(11-14)30-12-29-18;;;;;;;;;;;;;/h4-12,15-17,32H,13-14,18H2,1-3H3,(H,31,33);3-6,11-13,27H,7-10,14H2,1-2H3,(H,26,32)(H,28,29,30,31);4-7,10-12,27H,8-9,13H2,1-3H3,(H,25,28)(H,26,29);5-8,11-13,26-27H,9-10,14H2,1-4H3,(H,25,28);4-9,12-13,28H,10-11H2,1-3H3,(H,27,29);3-6,9-11,13,26H,7-8,12H2,1-2H3,(H,24,27)(H,25,28);1-4,9-11,25-26H,5-8,12H2,(H,23,27)(H,24,28);13*1H
InChIKeyAWRTWMLIVPGPLI-UHFFFAOYSA-N
MW2999.05 g/mol
LogP34.81
Rot. Bonds38

About 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen

5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (PubChem CID 157254229) has the molecular formula C170H201ClF3N21O23 and a molecular weight of 2999.05 g/mol. Its IUPAC name is 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
PubChem CID157254229
Molecular FormulaC170H201ClF3N21O23
Molecular Weight2999.05 g/mol
Exact Mass2996.48
IUPAC Name5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen
SMILESCC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(OCc5ccccc5)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)ccc2[nH]1.CC(C)(CCc1nn[nH]n1)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CNC(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1CO.O=C(NCCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.[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/C29H29ClN2O2.C25H26N6O3.C24H25N3O4.C24H28N2O3.C23H23F3N2O2.C23H23N3O4.C22H21N3O5.13H2/c1-28(2,3)26-16-20-15-22(10-12-24(20)32-26)31-27(33)29(13-14-29)21-9-11-23(30)25(17-21)34-18-19-7-5-4-6-8-19;1-24(2,8-7-22-28-30-31-29-22)21-12-15-11-17(4-5-18(15)27-21)26-23(32)25(9-10-25)16-3-6-19-20(13-16)34-14-33-19;1-23(2,21(28)25-3)20-11-14-10-16(5-6-17(14)27-20)26-22(29)24(8-9-24)15-4-7-18-19(12-15)31-13-30-18;1-23(2,3)21-13-15-12-18(6-7-19(15)26-21)25-22(28)24(9-10-24)17-5-8-20(29-4)16(11-17)14-27;1-21(2,3)19-13-14-12-16(6-9-18(14)28-19)27-20(29)22(10-11-22)15-4-7-17(8-5-15)30-23(24,25)26;1-13(2)24-21(27)18-10-14-9-16(4-5-17(14)26-18)25-22(28)23(7-8-23)15-3-6-19-20(11-15)30-12-29-19;26-8-7-23-20(27)17-10-13-9-15(2-3-16(13)25-17)24-21(28)22(5-6-22)14-1-4-18-19(11-14)30-12-29-18;;;;;;;;;;;;;/h4-12,15-17,32H,13-14,18H2,1-3H3,(H,31,33);3-6,11-13,27H,7-10,14H2,1-2H3,(H,26,32)(H,28,29,30,31);4-7,10-12,27H,8-9,13H2,1-3H3,(H,25,28)(H,26,29);5-8,11-13,26-27H,9-10,14H2,1-4H3,(H,25,28);4-9,12-13,28H,10-11H2,1-3H3,(H,27,29);3-6,9-11,13,26H,7-8,12H2,1-2H3,(H,24,27)(H,25,28);1-4,9-11,25-26H,5-8,12H2,(H,23,27)(H,24,28);13*1H
InChIKeyAWRTWMLIVPGPLI-UHFFFAOYSA-N
XLogP34.81
TPSA597.98 Ų
H-Bond Donors20
H-Bond Acceptors26
Rotatable Bonds38
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002999.05
LogP ≤ 534.81
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1026

Analyze 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(2-hydroxy-3-methoxypropyl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[1-[2-hydroxyethyl(methyl)amino]-2-methyl-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-7-fluoro-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;molecular hydrogen
CID 158151140
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(2-hydroxypropan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(2-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1-benzofuran-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1-benzofuran-6-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 158635865
5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-hydroxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(7-fluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methyl-1,2-benzoxazol-5-yl)cyclopropane-1-carboxamide;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[2-(1-methylcyclopropyl)-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 159716775
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-[3-hydroxy-2-(hydroxymethyl)propyl]indol-5-yl]cyclopropane-1-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-3-(methylamino)but-3-en-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 159934519
1-(1,3-benzodioxol-5-yl)-N-[2-tert-butyl-1-(oxolan-3-yl)indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(2-hydroxypropan-2-yl)-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1-benzofuran-5-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1-benzofuran-6-yl)-N-(2-tert-butyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1-benzofuran-5-yl)-N-(2-phenyl-1H-indol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-(2H-tetrazol-5-yl)ethyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 160023352
1-(1,3-benzodioxol-5-yl)-N-(7-fluoro-2-propyl-1H-indol-5-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-(3-methyl-1H-indol-4-yl)cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-(morpholine-4-carbonyl)-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-[2-tert-butyl-1-[2-hydroxy-3-(2H-tetrazol-5-yl)propyl]indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 160531284

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The IUPAC name of 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen (CID 157254229) is 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The canonical SMILES for 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(Cl)c(OCc5ccccc5)c4)CC3)ccc2[nH]1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)ccc2[nH]1.CC(C)(CCc1nn[nH]n1)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CC(C)NC(=O)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.CNC(=O)C(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1CO.O=C(NCCO)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1.[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 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
The InChIKey is AWRTWMLIVPGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN2O2.C25H26N6O3.C24H25N3O4.C24H28N2O3.C23H23F3N2O2.C23H23N3O4.C22H21N3O5.13H2/c1-28(2,3)26-16-20-15-22(10-12-24(20)32-26)31-27(33)29(13-14-29)21-9-11-23(30)25(17-21)34-18-19-7-5-4-6-8-19;1-24(2,8-7-22-28-30-31-29-22)21-12-15-11-17(4-5-18(15)27-21)26-23(32)25(9-10-25)16-3-6-19-20(13-16)34-14-33-19;1-23(2,21(28)25-3)20-11-14-10-16(5-6-17(14)27-20)26-22(29)24(8-9-24)15-4-7-18-19(12-15)31-13-30-18;1-23(2,3)21-13-15-12-18(6-7-19(15)26-21)25-22(28)24(9-10-24)17-5-8-20(29-4)16(11-17)14-27;1-21(2,3)19-13-14-12-16(6-9-18(14)28-19)27-20(29)22(10-11-22)15-4-7-17(8-5-15)30-23(24,25)26;1-13(2)24-21(27)18-10-14-9-16(4-5-17(14)26-18)25-22(28)23(7-8-23)15-3-6-19-20(11-15)30-12-29-19;26-8-7-23-20(27)17-10-13-9-15(2-3-16(13)25-17)24-21(28)22(5-6-22)14-1-4-18-19(11-14)30-12-29-18;;;;;;;;;;;;;/h4-12,15-17,32H,13-14,18H2,1-3H3,(H,31,33);3-6,11-13,27H,7-10,14H2,1-2H3,(H,26,32)(H,28,29,30,31);4-7,10-12,27H,8-9,13H2,1-3H3,(H,25,28)(H,26,29);5-8,11-13,26-27H,9-10,14H2,1-4H3,(H,25,28);4-9,12-13,28H,10-11H2,1-3H3,(H,27,29);3-6,9-11,13,26H,7-8,12H2,1-2H3,(H,24,27)(H,25,28);1-4,9-11,25-26H,5-8,12H2,(H,23,27)(H,24,28);13*1H.
What are the key properties of 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen?
5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen has a molecular weight of 2999.05 g/mol, XLogP of 34.81, 38 rotatable bonds, 20 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-(2-hydroxyethyl)-1H-indole-2-carboxamide;5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-N-propan-2-yl-1H-indole-2-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(2H-tetrazol-5-yl)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-chloro-3-phenylmethoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[3-(hydroxymethyl)-4-methoxyphenyl]cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 157254229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).