About tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile
tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile (PubChem CID 157127036) has the molecular formula C148H184F12N32O7S5
and a molecular weight of 2911.63 g/mol. Its IUPAC name is tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile?
The IUPAC name of tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile (CID 157127036) is tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile.
What is the SMILES notation for tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile?
The canonical SMILES for tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile is CNS(=O)(=O)N1CCN([C@@H](C)Cn2c(C#N)cc3c(C)c(CN4CCC5(CCN(c6nc(C)nc7sc(CC(F)(F)F)cc67)C5)C4)ccc32)CC1.Cc1c(C=O)ccc2c1cc(C#N)n2C[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1.Cc1nc(N2CCC3(CCN(Cc4ccc5c(cc(C#N)n5C[C@H](C)N5CCCCC5)c4C)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCN(Cc4ccc5c(cc(C#N)n5C[C@H](C)N5CCN(C(=O)OC(C)(C)C)CC5)c4C)C3)C2)c2cc(CC(F)(F)F)sc2n1.Cc1nc(N2CCC3(CCNC3)C2)c2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile?
The InChIKey is AIPWKUQOMCVZSX-FGEDDEOASA-N. The full InChI is InChI=1S/C39H49F3N8O2S.C35H44F3N9O2S2.C35H42F3N7S.C23H30N4O3.C16H19F3N4S/c1-25(47-13-15-48(16-14-47)36(51)52-37(4,5)6)21-50-29(20-43)17-31-26(2)28(7-8-33(31)50)22-46-11-9-38(23-46)10-12-49(24-38)34-32-18-30(19-39(40,41)42)53-35(32)45-27(3)44-34;1-23(44-11-13-46(14-12-44)51(48,49)40-4)19-47-27(18-39)15-29-24(2)26(5-6-31(29)47)20-43-9-7-34(21-43)8-10-45(22-34)32-30-16-28(17-35(36,37)38)50-33(30)42-25(3)41-32;1-23(43-11-5-4-6-12-43)19-45-27(18-39)15-29-24(2)26(7-8-31(29)45)20-42-13-9-34(21-42)10-14-44(22-34)32-30-16-28(17-35(36,37)38)46-33(30)41-25(3)40-32;1-16(25-8-10-26(11-9-25)22(29)30-23(3,4)5)14-27-19(13-24)12-20-17(2)18(15-28)6-7-21(20)27;1-10-21-13(23-5-3-15(9-23)2-4-20-8-15)12-6-11(7-16(17,18)19)24-14(12)22-10/h7-8,17-18,25H,9-16,19,21-24H2,1-6H3;5-6,15-16,23,40H,7-14,17,19-22H2,1-4H3;7-8,15-16,23H,4-6,9-14,17,19-22H2,1-3H3;6-7,12,15-16H,8-11,14H2,1-5H3;6,20H,2-5,7-9H2,1H3/t25-,38?;2*23-,34?;16-;/m0000./s1.
What are the key properties of tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile?
tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile has a molecular weight of 2911.63 g/mol, XLogP of 26.18, 29 rotatable bonds, 2 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2S)-1-(2-cyano-5-formyl-4-methylindol-1-yl)propan-2-yl]piperazine-1-carboxylate;tert-butyl 4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]piperazine-1-carboxylate;4-[(2S)-1-[2-cyano-4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]indol-1-yl]propan-2-yl]-N-methylpiperazine-1-sulfonamide;4-(2,7-diazaspiro[4.4]nonan-2-yl)-2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine;4-methyl-5-[[2-[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-1-[(2S)-2-piperidin-1-ylpropyl]indole-2-carbonitrile is sourced from PubChem (CID 157127036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).