dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide

C158H174Cs2F12LiN27O18S4 — CID 158532825

About dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide

dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide (PubChem CID 158532825) has the molecular formula C158H174Cs2F12LiN27O18S4 and a molecular weight of 3368.30 g/mol. Its IUPAC name is dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide.

Molecular Properties

• Compound Name: dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide
• PubChem CID: 158532825
• Molecular Formula: C158H174Cs2F12LiN27O18S4
• Molecular Weight: 3368.30 g/mol
• Exact Mass: 3366.05
• IUPAC Name: dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide
• SMILES: CCC12CC(C(=O)OC)(C1)C2.CN.CNC(=O)C12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.COC(=O)C12CC(CO)(C1)C2.COC(=O)C12CC(Cn3c(C#N)cc4c(C)c(C=O)ccc43)(C1)C2.COC(=O)C12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(C(=O)O)(C1)C2.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-]
• InChI: InChI=1S/C32H34F3N7OS.C32H33F3N6O2S.C31H31F3N6O2S.C19H18N2O3.C13H15F3N4S.C12H9NO.C9H14O2.C8H12O3.CH5N.CH2O3.2Cs.Li.H2O.H/c1-19-20(3-4-26-24(19)9-22(12-36)42(26)17-30-14-31(15-30,16-30)29(43)37-2)13-41-7-5-21(6-8-41)40-27-25-10-23(11-32(33,34)35)44-28(25)39-18-38-27;1-19-20(3-4-26-24(19)9-22(12-36)41(26)17-30-14-31(15-30,16-30)29(42)43-2)13-40-7-5-21(6-8-40)39-27-25-10-23(11-32(33,34)35)44-28(25)38-18-37-27;1-18-19(2-3-25-23(18)8-21(11-35)40(25)16-29-13-30(14-29,15-29)28(41)42)12-39-6-4-20(5-7-39)38-26-24-9-22(10-31(32,33)34)43-27(24)37-17-36-26;1-12-13(7-22)3-4-16-15(12)5-14(6-20)21(16)11-18-8-19(9-18,10-18)17(23)24-2;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-3-8-4-9(5-8,6-8)7(10)11-2;1-11-6(10)8-2-7(3-8,4-8)5-9;1-2;2-1-4-3;;;;;/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,37,43)(H,38,39,40);3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,37,38,39);2-3,8-9,17,20H,4-7,10,12-16H2,1H3,(H,41,42)(H,36,37,38);3-5,7H,8-11H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;3-6H2,1-2H3;9H,2-5H2,1H3;2H2,1H3;1,3H;;;;1H2;/q;;;;;;;;;;3*+1;;-1/p-2
• InChIKey: FLCWUZGXFPYNBX-UHFFFAOYSA-L
• XLogP: 17.76
• TPSA: 643.01 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 47
• Rotatable Bonds: 37
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3368.30
LogP ≤ 5	17.76
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide?

The IUPAC name of dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide (CID 158532825) is dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide.

What is the SMILES notation for dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide?

The canonical SMILES for dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide is CCC12CC(C(=O)OC)(C1)C2.CN.CNC(=O)C12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.COC(=O)C12CC(CO)(C1)C2.COC(=O)C12CC(Cn3c(C#N)cc4c(C)c(C=O)ccc43)(C1)C2.COC(=O)C12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(C(=O)O)(C1)C2.FC(F)(F)Cc1cc2c(NC3CCNCC3)ncnc2s1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].

What is the InChIKey of dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide?

The InChIKey is FLCWUZGXFPYNBX-UHFFFAOYSA-L. The full InChI is InChI=1S/C32H34F3N7OS.C32H33F3N6O2S.C31H31F3N6O2S.C19H18N2O3.C13H15F3N4S.C12H9NO.C9H14O2.C8H12O3.CH5N.CH2O3.2Cs.Li.H2O.H/c1-19-20(3-4-26-24(19)9-22(12-36)42(26)17-30-14-31(15-30,16-30)29(43)37-2)13-41-7-5-21(6-8-41)40-27-25-10-23(11-32(33,34)35)44-28(25)39-18-38-27;1-19-20(3-4-26-24(19)9-22(12-36)41(26)17-30-14-31(15-30,16-30)29(42)43-2)13-40-7-5-21(6-8-40)39-27-25-10-23(11-32(33,34)35)44-28(25)38-18-37-27;1-18-19(2-3-25-23(18)8-21(11-35)40(25)16-29-13-30(14-29,15-29)28(41)42)12-39-6-4-20(5-7-39)38-26-24-9-22(10-31(32,33)34)43-27(24)37-17-36-26;1-12-13(7-22)3-4-16-15(12)5-14(6-20)21(16)11-18-8-19(9-18,10-18)17(23)24-2;14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;1-3-8-4-9(5-8,6-8)7(10)11-2;1-11-6(10)8-2-7(3-8,4-8)5-9;1-2;2-1-4-3;;;;;/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,37,43)(H,38,39,40);3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,37,38,39);2-3,8-9,17,20H,4-7,10,12-16H2,1H3,(H,41,42)(H,36,37,38);3-5,7H,8-11H2,1-2H3;5,7-8,17H,1-4,6H2,(H,18,19,20);2-3,5,7H,4H2,1H3;3-6H2,1-2H3;9H,2-5H2,1H3;2H2,1H3;1,3H;;;;1H2;/q;;;;;;;;;;3*+1;;-1/p-2.

What are the key properties of dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide?

dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide has a molecular weight of 3368.30 g/mol, XLogP of 17.76, 37 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid;3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-N-methylbicyclo[1.1.1]pentane-1-carboxamide;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methanamine;methyl 3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-[[2-cyano-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylate;methyl 3-ethylbicyclo[1.1.1]pentane-1-carboxylate;methyl 3-(hydroxymethyl)bicyclo[1.1.1]pentane-1-carboxylate;oxido formate;N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;hydroxide is sourced from PubChem (CID 158532825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).