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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen

C152H179F2N11O26S — CID 158934978

IUPAC1-(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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen
SMILESCC(C)(C)C1=Nc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C1S(C)(=O)=O.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)OC(F)(F)O5)CC3)ccc2n1CC1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(CO)CO.CCOC(=O)c1c(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2cc[nH]c12.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H32F2N2O4.C27H32N2O5.C26H29N3O5.C25H27NO5S.C23H21NO5.C22H22N2O2.8H2/c1-27(2,3)25-15-19-14-21(5-6-22(19)33(25)17-18-8-12-35-13-9-18)32-26(34)28(10-11-28)20-4-7-23-24(16-20)37-29(30,31)36-23;1-26(2,3)24-11-18-10-20(5-6-21(18)29(24)13-17(14-30)15-31)28-25(32)27(8-9-27)19-4-7-22-23(12-19)34-16-33-22;1-25(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;1-24(2,3)23-22(32(4,28)29)17-11-15(5-7-18(17)26-23)12-21(27)25(9-10-25)16-6-8-19-20(13-16)31-14-30-19;1-2-27-22(26)20-15(4-3-14-7-10-24-21(14)20)11-19(25)23(8-9-23)16-5-6-17-18(12-16)29-13-28-17;1-26-18-4-2-3-16(13-18)22(9-10-22)21(25)23-17-7-8-19-15(11-17)12-20(24-19)14-5-6-14;;;;;;;;/h4-7,14-16,18H,8-13,17H2,1-3H3,(H,32,34);4-7,10-12,17,30-31H,8-9,13-16H2,1-3H3,(H,28,32);4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11,13,22H,9-10,12,14H2,1-4H3;3-7,10,12,24H,2,8-9,11,13H2,1H3;2-4,7-8,11-14,24H,5-6,9-10H2,1H3,(H,23,25);8*1H/t;;22-;;;;;;;;;;;/m..0.........../s1
InChIKeyJJNNFGQJDUICSL-RFOAEPQWSA-N
MW2646.22 g/mol
LogP29.08
Rot. Bonds34

About 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen

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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen (PubChem CID 158934978) has the molecular formula C152H179F2N11O26S and a molecular weight of 2646.22 g/mol. Its IUPAC name is 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen.

Molecular Properties

Compound Name1-(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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen
PubChem CID158934978
Molecular FormulaC152H179F2N11O26S
Molecular Weight2646.22 g/mol
Exact Mass2644.27
IUPAC Name1-(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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen
SMILESCC(C)(C)C1=Nc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C1S(C)(=O)=O.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)OC(F)(F)O5)CC3)ccc2n1CC1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(CO)CO.CCOC(=O)c1c(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2cc[nH]c12.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)c1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C29H32F2N2O4.C27H32N2O5.C26H29N3O5.C25H27NO5S.C23H21NO5.C22H22N2O2.8H2/c1-27(2,3)25-15-19-14-21(5-6-22(19)33(25)17-18-8-12-35-13-9-18)32-26(34)28(10-11-28)20-4-7-23-24(16-20)37-29(30,31)36-23;1-26(2,3)24-11-18-10-20(5-6-21(18)29(24)13-17(14-30)15-31)28-25(32)27(8-9-27)19-4-7-22-23(12-19)34-16-33-22;1-25(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;1-24(2,3)23-22(32(4,28)29)17-11-15(5-7-18(17)26-23)12-21(27)25(9-10-25)16-6-8-19-20(13-16)31-14-30-19;1-2-27-22(26)20-15(4-3-14-7-10-24-21(14)20)11-19(25)23(8-9-23)16-5-6-17-18(12-16)29-13-28-17;1-26-18-4-2-3-16(13-18)22(9-10-22)21(25)23-17-7-8-19-15(11-17)12-20(24-19)14-5-6-14;;;;;;;;/h4-7,14-16,18H,8-13,17H2,1-3H3,(H,32,34);4-7,10-12,17,30-31H,8-9,13-16H2,1-3H3,(H,28,32);4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11,13,22H,9-10,12,14H2,1-4H3;3-7,10,12,24H,2,8-9,11,13H2,1H3;2-4,7-8,11-14,24H,5-6,9-10H2,1H3,(H,23,25);8*1H/t;;22-;;;;;;;;;;;/m..0.........../s1
InChIKeyJJNNFGQJDUICSL-RFOAEPQWSA-N
XLogP29.08
TPSA481.12 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds34
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002646.22
LogP ≤ 529.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;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-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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen?
The IUPAC name of 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen (CID 158934978) is 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen.
What is the SMILES notation for 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen?
The canonical SMILES for 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen is CC(C)(C)C1=Nc2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2C1S(C)(=O)=O.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)OC(F)(F)O5)CC3)ccc2n1CC1CCOCC1.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2n1CC(CO)CO.CCOC(=O)c1c(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2cc[nH]c12.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)c1.[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-[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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen?
The InChIKey is JJNNFGQJDUICSL-RFOAEPQWSA-N. The full InChI is InChI=1S/C29H32F2N2O4.C27H32N2O5.C26H29N3O5.C25H27NO5S.C23H21NO5.C22H22N2O2.8H2/c1-27(2,3)25-15-19-14-21(5-6-22(19)33(25)17-18-8-12-35-13-9-18)32-26(34)28(10-11-28)20-4-7-23-24(16-20)37-29(30,31)36-23;1-26(2,3)24-11-18-10-20(5-6-21(18)29(24)13-17(14-30)15-31)28-25(32)27(8-9-27)19-4-7-22-23(12-19)34-16-33-22;1-25(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;1-24(2,3)23-22(32(4,28)29)17-11-15(5-7-18(17)26-23)12-21(27)25(9-10-25)16-6-8-19-20(13-16)31-14-30-19;1-2-27-22(26)20-15(4-3-14-7-10-24-21(14)20)11-19(25)23(8-9-23)16-5-6-17-18(12-16)29-13-28-17;1-26-18-4-2-3-16(13-18)22(9-10-22)21(25)23-17-7-8-19-15(11-17)12-20(24-19)14-5-6-14;;;;;;;;/h4-7,14-16,18H,8-13,17H2,1-3H3,(H,32,34);4-7,10-12,17,30-31H,8-9,13-16H2,1-3H3,(H,28,32);4-7,10-12,22,28,30H,8-9,13-14H2,1-3H3,(H,27,32)(H,29,31);5-8,11,13,22H,9-10,12,14H2,1-4H3;3-7,10,12,24H,2,8-9,11,13H2,1H3;2-4,7-8,11-14,24H,5-6,9-10H2,1H3,(H,23,25);8*1H/t;;22-;;;;;;;;;;;/m..0.........../s1.
What are the key properties of 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen?
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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen has a molecular weight of 2646.22 g/mol, XLogP of 29.08, 34 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-3H-indol-5-yl)ethanone;N-[2-tert-butyl-1-(oxan-4-ylmethyl)indol-5-yl]-1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;N-(2-cyclopropyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;ethyl 6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-1H-indole-7-carboxylate;molecular hydrogen is sourced from PubChem (CID 158934978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).