About N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide
N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide (PubChem CID 163550225) has the molecular formula C140H173F4N21O33P2
and a molecular weight of 2815.98 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide (CID 163550225) is N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide is CCC(=O)C(CC1CCCNC1=O)NC(=O)C1C2CCCCC2CN1C(=O)c1cc2c(OC)cccc2[nH]1.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCNC3=O)C(=O)C(=O)NC3CC3)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4(CC3C(=O)NC(CC3CCCNC3=O)C(=O)C(C)=O)CC4(F)F)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCCNC3=O)C(=O)COP(C)(=O)O)cc12.COc1cccc2[nH]c(C(=O)N3CC4CCCC4C3C(=O)NC(CC3CCNC3=O)C(=O)COP(C)(=O)O)cc12.
What is the InChIKey of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide?
The InChIKey is FILFIHODEFRURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F2N5O6.C29H38N4O5.C28H37N4O8P.C27H30F2N4O6.C27H35N4O8P/c1-42-22-6-2-5-18-17(22)11-20(34-18)27(41)36-14-28(13-29(28,30)31)12-21(36)25(39)35-19(10-15-4-3-9-32-24(15)38)23(37)26(40)33-16-7-8-16;1-3-24(34)22(14-17-9-7-13-30-27(17)35)32-28(36)26-19-10-5-4-8-18(19)16-33(26)29(37)23-15-20-21(31-23)11-6-12-25(20)38-2;1-39-24-10-4-9-20-19(24)13-22(30-20)28(36)32-14-17-6-3-8-18(17)25(32)27(35)31-21(23(33)15-40-41(2,37)38)12-16-7-5-11-29-26(16)34;1-14(34)22(35)18(9-15-5-4-8-30-23(15)36)32-24(37)20-11-26(12-27(26,28)29)13-33(20)25(38)19-10-16-17(31-19)6-3-7-21(16)39-2;1-38-23-8-4-7-19-18(23)12-21(29-19)27(35)31-13-16-5-3-6-17(16)24(31)26(34)30-20(11-15-9-10-28-25(15)33)22(32)14-39-40(2,36)37/h2,5-6,11,15-16,19,21,34H,3-4,7-10,12-14H2,1H3,(H,32,38)(H,33,40)(H,35,39);6,11-12,15,17-19,22,26,31H,3-5,7-10,13-14,16H2,1-2H3,(H,30,35)(H,32,36);4,9-10,13,16-18,21,25,30H,3,5-8,11-12,14-15H2,1-2H3,(H,29,34)(H,31,35)(H,37,38);3,6-7,10,15,18,20,31H,4-5,8-9,11-13H2,1-2H3,(H,30,36)(H,32,37);4,7-8,12,15-17,20,24,29H,3,5-6,9-11,13-14H2,1-2H3,(H,28,33)(H,30,34)(H,36,37).
What are the key properties of N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide?
N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide has a molecular weight of 2815.98 g/mol, XLogP of 10.88, 45 rotatable bonds, 18 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-3,4-dioxo-1-(2-oxopiperidin-3-yl)butan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;N-[3,4-dioxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-2,2-difluoro-5-(4-methoxy-1H-indole-2-carbonyl)-5-azaspiro[2.4]heptane-6-carboxamide;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopiperidin-3-yl)butoxy]-methylphosphinic acid;[3-[[2-(4-methoxy-1H-indole-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carbonyl]amino]-2-oxo-4-(2-oxopyrrolidin-3-yl)butoxy]-methylphosphinic acid;2-(4-methoxy-1H-indole-2-carbonyl)-N-[3-oxo-1-(2-oxopiperidin-3-yl)pentan-2-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxamide is sourced from PubChem (CID 163550225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).