potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride

C87H131BClF6KN17O16S4+ — CID 159288495

About potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride

potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride (PubChem CID 159288495) has the molecular formula C87H131BClF6KN17O16S4+ and a molecular weight of 1998.73 g/mol. Its IUPAC name is potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride.

Molecular Properties

• Compound Name: potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride
• PubChem CID: 159288495
• Molecular Formula: C87H131BClF6KN17O16S4+
• Molecular Weight: 1998.73 g/mol
• Exact Mass: 1996.82
• IUPAC Name: potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride
• SMILES: CC(C)(C)OC(=O)N1CC2(CCCCC2)C1.CC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)c(C)sc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CNC5)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.O=C(O)C(F)(F)F.[F-].[K+]
• InChI: InChI=1S/C31H43N7O6S2.C26H35N7O4S2.C14H26N2O2.C13H23NO2.C2HF3O2.CH2BClF2.FH.K/c1-20-22(17-36-9-7-31(8-10-36)18-38(19-31)29(39)44-30(2,3)4)25-26(45-20)24(33-28(34-25)37-11-13-43-14-12-37)21-15-23(35-46(6,40)41)27(42-5)32-16-21;1-17-19(14-32-6-4-26(5-7-32)15-27-16-26)22-23(38-17)21(29-25(30-22)33-8-10-37-11-9-33)18-12-20(31-39(3,34)35)24(36-2)28-13-18;1-5-15-8-6-14(7-9-15)10-16(11-14)12(17)18-13(2,3)4;1-12(2,3)16-11(15)14-9-13(10-14)7-5-4-6-8-13;3-2(4,5)1(6)7;3-1-2(4)5;;/h15-16,35H,7-14,17-19H2,1-6H3;12-13,27,31H,4-11,14-16H2,1-3H3;5-11H2,1-4H3;4-10H2,1-3H3;(H,6,7);1H2;1H;/q;;;;;;;+1
• InChIKey: QZEOMJCQGLYDRD-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 361.95 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1998.73
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride?

The IUPAC name of potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride (CID 159288495) is potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride.

What is the SMILES notation for potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride?

The canonical SMILES for potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride is CC(C)(C)OC(=O)N1CC2(CCCCC2)C1.CC[NH+]1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CN(C(=O)OC(C)(C)C)C5)c(C)sc23)cc1NS(C)(=O)=O.COc1ncc(-c2nc(N3CCOCC3)nc3c(CN4CCC5(CC4)CNC5)c(C)sc23)cc1NS(C)(=O)=O.FB(F)CCl.O=C(O)C(F)(F)F.[F-].[K+].

What is the InChIKey of potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride?

The InChIKey is QZEOMJCQGLYDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N7O6S2.C26H35N7O4S2.C14H26N2O2.C13H23NO2.C2HF3O2.CH2BClF2.FH.K/c1-20-22(17-36-9-7-31(8-10-36)18-38(19-31)29(39)44-30(2,3)4)25-26(45-20)24(33-28(34-25)37-11-13-43-14-12-37)21-15-23(35-46(6,40)41)27(42-5)32-16-21;1-17-19(14-32-6-4-26(5-7-32)15-27-16-26)22-23(38-17)21(29-25(30-22)33-8-10-37-11-9-33)18-12-20(31-39(3,34)35)24(36-2)28-13-18;1-5-15-8-6-14(7-9-15)10-16(11-14)12(17)18-13(2,3)4;1-12(2,3)16-11(15)14-9-13(10-14)7-5-4-6-8-13;3-2(4,5)1(6)7;3-1-2(4)5;;/h15-16,35H,7-14,17-19H2,1-6H3;12-13,27,31H,4-11,14-16H2,1-3H3;5-11H2,1-4H3;4-10H2,1-3H3;(H,6,7);1H2;1H;/q;;;;;;;+1.

What are the key properties of potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride?

potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride has a molecular weight of 1998.73 g/mol, XLogP of 6.52, 16 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;tert-butyl 2-azaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-ethyl-2-aza-7-azoniaspiro[3.5]nonane-2-carboxylate;tert-butyl 7-[[4-[5-(methanesulfonamido)-6-methoxy-3-pyridinyl]-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]-2,7-diazaspiro[3.5]nonane-2-carboxylate;chloromethyl(difluoro)borane;N-[5-[7-(2,7-diazaspiro[3.5]nonan-7-ylmethyl)-6-methyl-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl]-2-methoxy-3-pyridinyl]methanesulfonamide;2,2,2-trifluoroacetic acid;fluoride is sourced from PubChem (CID 159288495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).