About lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide
lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide (PubChem CID 165109369) has the molecular formula C152H159F12LiN28O16S
and a molecular weight of 2901.11 g/mol. Its IUPAC name is lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide?
The IUPAC name of lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide (CID 165109369) is lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide.
What is the SMILES notation for lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide?
The canonical SMILES for lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide is COC(=O)c1ccc(C(=O)N2CCC(C#Cc3ccc(C4CCN(C5=Nn6c(nnc6C(F)(F)F)CC5)CC4)cc3)CC2)cc1.COC(=O)c1ccc(C(=O)O)cc1.Cc1ncsc1-c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(NC(=O)c2ccc(C(=O)N3CCC(C#Cc4ccc(C5CCN(C6=Nn7c(nnc7C(F)(F)F)CC6)CC5)cc4)CC3)cc2)C(C)(C)C)cc1.FC(F)(F)c1nnc2n1N=C(N1CCC(c3ccc(C#CC4CCNCC4)cc3)CC1)CC2.O=C(O)c1ccc(C(=O)N2CCC(C#Cc3ccc(C4CCN(C5=Nn6c(nnc6C(F)(F)F)CC5)CC4)cc3)CC2)cc1.[Li+].[OH-].
What is the InChIKey of lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide?
The InChIKey is ZROQTGQMYOVYLZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C54H59F3N10O5S.C33H33F3N6O3.C32H31F3N6O3.C24H27F3N6.C9H8O4.Li.H2O/c1-33-46(73-32-59-33)39-13-9-36(10-14-39)30-58-49(70)43-29-42(68)31-66(43)51(72)47(53(2,3)4)60-48(69)40-15-17-41(18-16-40)50(71)65-25-21-35(22-26-65)6-5-34-7-11-37(12-8-34)38-23-27-64(28-24-38)45-20-19-44-61-62-52(54(55,56)57)67(44)63-45;1-45-31(44)27-10-8-26(9-11-27)30(43)41-18-14-23(15-19-41)3-2-22-4-6-24(7-5-22)25-16-20-40(21-17-25)29-13-12-28-37-38-32(33(34,35)36)42(28)39-29;33-32(34,35)31-37-36-27-11-12-28(38-41(27)31)39-19-15-24(16-20-39)23-5-3-21(4-6-23)1-2-22-13-17-40(18-14-22)29(42)25-7-9-26(10-8-25)30(43)44;25-24(26,27)23-30-29-21-7-8-22(31-33(21)23)32-15-11-20(12-16-32)19-5-3-17(4-6-19)1-2-18-9-13-28-14-10-18;1-13-9(12)7-4-2-6(3-5-7)8(10)11;;/h7-18,32,35,38,42-43,47,68H,19-31H2,1-4H3,(H,58,70)(H,60,69);4-11,23,25H,12-21H2,1H3;3-10,22,24H,11-20H2,(H,43,44);3-6,18,20,28H,7-16H2;2-5H,1H3,(H,10,11);;1H2/q;;;;;+1;/p-1.
What are the key properties of lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide?
lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide has a molecular weight of 2901.11 g/mol, XLogP of 18.54, 18 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[3,3-dimethyl-2-[[4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoyl]amino]butanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-methoxycarbonylbenzoic acid;methyl 4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoate;6-[4-[4-(2-piperidin-4-ylethynyl)phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine;4-[4-[2-[4-[1-[3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]phenyl]ethynyl]piperidine-1-carbonyl]benzoic acid;hydroxide is sourced from PubChem (CID 165109369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).