trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane

C123H195Br2Cl9N17Na3O11S7Si3 — CID 167661707

About trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane

trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane (PubChem CID 167661707) has the molecular formula C123H195Br2Cl9N17Na3O11S7Si3 and a molecular weight of 2944.60 g/mol. Its IUPAC name is trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane.

Molecular Properties

• Compound Name: trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane
• PubChem CID: 167661707
• Molecular Formula: C123H195Br2Cl9N17Na3O11S7Si3
• Molecular Weight: 2944.60 g/mol
• Exact Mass: 2935.78
• IUPAC Name: trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane
• SMILES: C.C.C.C.C1CCOC1.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2N[S@](=O)C(C)(C)C.CC(C)(C)[S@@](=O)N[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC12CCN(c1ncc(Br)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC12CCNCC2.CC[O-].Clc1ncc(Br)c2nccn12.N[C@@H]1C[C@H](O)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Sc1cccc(Cl)c1Cl.[Na+].[Na+].[Na+].[S-]c1cccc(Cl)c1Cl.[S-]c1cccc(Cl)c1Cl
• InChI: InChI=1S/C25H42BrN5O2SSi.C24H48N2O4SSi.C21H23Cl2N5OS.C19H40N2O2SSi.C6H3BrClN3.3C6H4Cl2S.C4H8O.C2H5O.4CH4.3Na/c1-23(2,3)34(32)29-20-15-18(33-35(7,8)24(4,5)6)16-25(20)9-12-30(13-10-25)22-28-17-19(26)21-27-11-14-31(21)22;1-21(2,3)29-20(27)26-14-12-24(13-15-26)17-18(30-32(10,11)23(7,8)9)16-19(24)25-31(28)22(4,5)6;22-14-2-1-3-15(18(14)23)30-16-12-26-20(28-9-6-25-19(16)28)27-7-4-21(5-8-27)11-13(29)10-17(21)24;1-17(2,3)24(22)21-16-13-15(23-25(7,8)18(4,5)6)14-19(16)9-11-20-12-10-19;7-4-3-10-6(8)11-2-1-9-5(4)11;3*7-4-2-1-3-5(9)6(4)8;1-2-4-5-3-1;1-2-3;;;;;;;/h11,14,17-18,20,29H,9-10,12-13,15-16H2,1-8H3;18-19,25H,12-17H2,1-11H3;1-3,6,9,12-13,17,29H,4-5,7-8,10-11,24H2;15-16,20-21H,9-14H2,1-8H3;1-3H;3*1-3,9H;1-4H2;2H2,1H3;4*1H4;;;/q;;;;;;;;;-1;;;;;3*+1/p-2/t18-,20+,34+;18-,19+,31+;13-,17+;15-,16+,24+;;;;;;;;;;;;;/m0000............./s1
• InChIKey: SAYJNRXNCMOSHX-NGOPFJOMSA-L
• XLogP: 24.45
• TPSA: 332.15 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2944.60
LogP ≤ 5	24.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane?

The IUPAC name of trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane (CID 167661707) is trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane.

What is the SMILES notation for trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane?

The canonical SMILES for trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane is C.C.C.C.C1CCOC1.CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2N[S@](=O)C(C)(C)C.CC(C)(C)[S@@](=O)N[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC12CCN(c1ncc(Br)c3nccn13)CC2.CC(C)(C)[S@@](=O)N[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)CC12CCNCC2.CC[O-].Clc1ncc(Br)c2nccn12.N[C@@H]1C[C@H](O)CC12CCN(c1ncc(Sc3cccc(Cl)c3Cl)c3nccn13)CC2.Sc1cccc(Cl)c1Cl.[Na+].[Na+].[Na+].[S-]c1cccc(Cl)c1Cl.[S-]c1cccc(Cl)c1Cl.

What is the InChIKey of trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane?

The InChIKey is SAYJNRXNCMOSHX-NGOPFJOMSA-L. The full InChI is InChI=1S/C25H42BrN5O2SSi.C24H48N2O4SSi.C21H23Cl2N5OS.C19H40N2O2SSi.C6H3BrClN3.3C6H4Cl2S.C4H8O.C2H5O.4CH4.3Na/c1-23(2,3)34(32)29-20-15-18(33-35(7,8)24(4,5)6)16-25(20)9-12-30(13-10-25)22-28-17-19(26)21-27-11-14-31(21)22;1-21(2,3)29-20(27)26-14-12-24(13-15-26)17-18(30-32(10,11)23(7,8)9)16-19(24)25-31(28)22(4,5)6;22-14-2-1-3-15(18(14)23)30-16-12-26-20(28-9-6-25-19(16)28)27-7-4-21(5-8-27)11-13(29)10-17(21)24;1-17(2,3)24(22)21-16-13-15(23-25(7,8)18(4,5)6)14-19(16)9-11-20-12-10-19;7-4-3-10-6(8)11-2-1-9-5(4)11;3*7-4-2-1-3-5(9)6(4)8;1-2-4-5-3-1;1-2-3;;;;;;;/h11,14,17-18,20,29H,9-10,12-13,15-16H2,1-8H3;18-19,25H,12-17H2,1-11H3;1-3,6,9,12-13,17,29H,4-5,7-8,10-11,24H2;15-16,20-21H,9-14H2,1-8H3;1-3H;3*1-3,9H;1-4H2;2H2,1H3;4*1H4;;;/q;;;;;;;;;-1;;;;;3*+1/p-2/t18-,20+,34+;18-,19+,31+;13-,17+;15-,16+,24+;;;;;;;;;;;;;/m0000............./s1.

What are the key properties of trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane?

trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane has a molecular weight of 2944.60 g/mol, XLogP of 24.45, 16 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for trisodium;(2R,4R)-4-amino-8-[8-(2,3-dichlorophenyl)sulfanylimidazo[1,2-c]pyrimidin-5-yl]-8-azaspiro[4.5]decan-2-ol;8-bromo-5-chloroimidazo[1,2-c]pyrimidine;(R)-N-[(2R,4R)-8-(8-bromoimidazo[1,2-c]pyrimidin-5-yl)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;tert-butyl (2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-4-[[(R)-tert-butylsulfinyl]amino]-8-azaspiro[4.5]decane-8-carboxylate;(R)-N-[(2R,4R)-2-[tert-butyl(dimethyl)silyl]oxy-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide;2,3-dichlorobenzenethiol;bis(2,3-dichlorobenzenethiolate);ethanolate;methane;oxolane is sourced from PubChem (CID 167661707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).