dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate

C169H220Cs2F9N25O20S3 — CID 162229409

About dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate

dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate (PubChem CID 162229409) has the molecular formula C169H220Cs2F9N25O20S3 and a molecular weight of 3454.77 g/mol. Its IUPAC name is dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate.

Molecular Properties

• Compound Name: dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate
• PubChem CID: 162229409
• Molecular Formula: C169H220Cs2F9N25O20S3
• Molecular Weight: 3454.77 g/mol
• Exact Mass: 3452.41
• IUPAC Name: dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate
• SMILES: C.CC(=O)C12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.CC(=O)C12CC(NC(=O)OC(C)(C)C)(C1)C2.CCC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.CCC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.CN(C(=O)OC(C)(C)C)C12CC(CO)(C1)C2.CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C36H42F3N7O2S.C32H35F3N6S.C23H27N3O3.C14H17F3N4S.C13H21NO3.C13H23NO2.C12H21NO3.C12H19NO3.C12H9NO.CH2O3.CH4.2Cs.H/c1-22-23(16-45-10-8-24(9-11-45)43-30-28-13-26(14-36(37,38)39)49-31(28)42-21-41-30)6-7-29-27(22)12-25(15-40)46(29)20-34-17-35(18-34,19-34)44(5)32(47)48-33(2,3)4;1-3-30-15-31(16-30,17-30)18-41-23(13-36)10-25-20(2)21(4-5-27(25)41)14-40-8-6-22(7-9-40)39-28-26-11-24(12-32(33,34)35)42-29(26)38-19-37-28;1-15-16(10-27)6-7-19-18(15)8-17(9-24)26(19)14-22-11-23(12-22,13-22)25(5)20(28)29-21(2,3)4;1-21-4-2-9(3-5-21)20-12-11-6-10(7-14(15,16)17)22-13(11)19-8-18-12;1-9(15)12-6-13(7-12,8-12)14(5)10(16)17-11(2,3)4;1-6-12-7-13(8-12,9-12)14(5)10(15)16-11(2,3)4;1-10(2,3)16-9(15)13(4)12-5-11(6-12,7-12)8-14;1-8(14)11-5-12(6-11,7-11)13-9(15)16-10(2,3)4;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;2-1-4-3;;;;/h6-7,12-13,21,24H,8-11,14,16-20H2,1-5H3,(H,41,42,43);4-5,10-11,19,22H,3,6-9,12,14-18H2,1-2H3,(H,37,38,39);6-8,10H,11-14H2,1-5H3;6,8-9H,2-5,7H2,1H3,(H,18,19,20);6-8H2,1-5H3;6-9H2,1-5H3;14H,5-8H2,1-4H3;5-7H2,1-4H3,(H,13,15);2-3,5,7H,4H2,1H3;1,3H;1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1
• InChIKey: OGOHQTLNEMIXSL-UHFFFAOYSA-M
• XLogP: 27.91
• TPSA: 557.00 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3454.77
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	42

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;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate?

The IUPAC name of dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate (CID 162229409) is dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate.

What is the SMILES notation for dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate?

The canonical SMILES for dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate is C.CC(=O)C12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.CC(=O)C12CC(NC(=O)OC(C)(C)C)(C1)C2.CCC12CC(Cn3c(C#N)cc4c(C)c(CN5CCC(Nc6ncnc7sc(CC(F)(F)F)cc67)CC5)ccc43)(C1)C2.CCC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.CN(C(=O)OC(C)(C)C)C12CC(CO)(C1)C2.CN1CCC(Nc2ncnc3sc(CC(F)(F)F)cc23)CC1.Cc1c(C=O)ccc2c1C=C(C#N)C2.Cc1c(C=O)ccc2c1cc(C#N)n2CC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.Cc1c(CN2CCC(Nc3ncnc4sc(CC(F)(F)F)cc34)CC2)ccc2c1cc(C#N)n2CC12CC(N(C)C(=O)OC(C)(C)C)(C1)C2.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate?

The InChIKey is OGOHQTLNEMIXSL-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H42F3N7O2S.C32H35F3N6S.C23H27N3O3.C14H17F3N4S.C13H21NO3.C13H23NO2.C12H21NO3.C12H19NO3.C12H9NO.CH2O3.CH4.2Cs.H/c1-22-23(16-45-10-8-24(9-11-45)43-30-28-13-26(14-36(37,38)39)49-31(28)42-21-41-30)6-7-29-27(22)12-25(15-40)46(29)20-34-17-35(18-34,19-34)44(5)32(47)48-33(2,3)4;1-3-30-15-31(16-30,17-30)18-41-23(13-36)10-25-20(2)21(4-5-27(25)41)14-40-8-6-22(7-9-40)39-28-26-11-24(12-32(33,34)35)42-29(26)38-19-37-28;1-15-16(10-27)6-7-19-18(15)8-17(9-24)26(19)14-22-11-23(12-22,13-22)25(5)20(28)29-21(2,3)4;1-21-4-2-9(3-5-21)20-12-11-6-10(7-14(15,16)17)22-13(11)19-8-18-12;1-9(15)12-6-13(7-12,8-12)14(5)10(16)17-11(2,3)4;1-6-12-7-13(8-12,9-12)14(5)10(15)16-11(2,3)4;1-10(2,3)16-9(15)13(4)12-5-11(6-12,7-12)8-14;1-8(14)11-5-12(6-11,7-11)13-9(15)16-10(2,3)4;1-8-11(7-14)3-2-10-4-9(6-13)5-12(8)10;2-1-4-3;;;;/h6-7,12-13,21,24H,8-11,14,16-20H2,1-5H3,(H,41,42,43);4-5,10-11,19,22H,3,6-9,12,14-18H2,1-2H3,(H,37,38,39);6-8,10H,11-14H2,1-5H3;6,8-9H,2-5,7H2,1H3,(H,18,19,20);6-8H2,1-5H3;6-9H2,1-5H3;14H,5-8H2,1-4H3;5-7H2,1-4H3,(H,13,15);2-3,5,7H,4H2,1H3;1,3H;1H4;;;/q;;;;;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate?

dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate has a molecular weight of 3454.77 g/mol, XLogP of 27.91, 33 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)carbamate;tert-butyl N-(3-acetyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-[(2-cyano-5-formyl-4-methylindol-1-yl)methyl]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-[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]-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;tert-butyl N-(3-ethyl-1-bicyclo[1.1.1]pentanyl)-N-methylcarbamate;tert-butyl N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]-N-methylcarbamate;1-[(3-ethyl-1-bicyclo[1.1.1]pentanyl)methyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;5-formyl-4-methyl-1H-indene-2-carbonitrile;hydride;methane;N-(1-methylpiperidin-4-yl)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine;oxido formate is sourced from PubChem (CID 162229409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).