About 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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 (PubChem CID 159275543) has the molecular formula C143H143F2N11O24S
and a molecular weight of 2469.83 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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.
Frequently Asked Questions
What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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 (CID 159275543) is 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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 is CC(C)(C)c1[nH]c2ccc(CC(=O)C3(c4ccc5c(c4)OCO5)CC3)cc2c1S(C)(=O)=O.CC(C)(C)c1cc2cc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)ccc2n1CC1CCOCC1.CCOC(=O)c1c(CC(=O)C2(c3ccc4c(c3)OCO4)CC2)ccc2cc[nH]c12.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C5CC5)cc4c3)CC2)c1.Cc1c[nH]c2cccc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)c12.O=C(c1cc2cc(NC(=O)C3(c4ccc5c(c4)OCO5)CC3)ccc2[nH]1)N1CCOCC1.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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?
The InChIKey is KYGJGSRSXPGNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N2O4.C25H27NO5S.C24H23N3O5.C23H21NO5.C22H22N2O2.C20H18N2O3/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;1-24(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;28-22(27-7-9-30-10-8-27)19-12-15-11-17(2-3-18(15)26-19)25-23(29)24(5-6-24)16-1-4-20-21(13-16)32-14-31-20;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;1-12-10-21-14-3-2-4-15(18(12)14)22-19(23)20(7-8-20)13-5-6-16-17(9-13)25-11-24-16/h4-7,14-16,18H,8-13,17H2,1-3H3,(H,32,34);5-8,11,13,26H,9-10,12,14H2,1-4H3;1-4,11-13,26H,5-10,14H2,(H,25,29);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);2-6,9-10,21H,7-8,11H2,1H3,(H,22,23).
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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?
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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 has a molecular weight of 2469.83 g/mol, XLogP of 26.35, 28 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-(2-tert-butyl-3-methylsulfonyl-1H-indol-5-yl)ethanone;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-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 is sourced from PubChem (CID 159275543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).