sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide

C97H155Br2ClF3N26NaO26S5Si5 — CID 159095217

IUPACsodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)c12.CS(=O)(=O)[C@@H]1C[C@@H](N)[C@H](O)C1.C[Si](C)(C)CCOCn1nc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1nc(Br)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)NCc2cc(F)ccc2F)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C25H34F2N6O5SSi.C19H31N5O6SSi.C18H29N5O6SSi.C17H28BrN5O4SSi.C11H16BrClN4OSi.C6H13NO3S.CH3F.Na.H2O/c1-39(36,37)17-10-19(20(34)11-17)31-23-21-22(25(35)28-12-15-9-16(26)5-6-18(15)27)32-33(24(21)30-13-29-23)14-38-7-8-40(2,3)4;1-29-19(26)16-15-17(22-13-8-12(9-14(13)25)31(2,27)28)20-10-21-18(15)24(23-16)11-30-6-7-32(3,4)5;1-30(27,28)11-7-12(13(24)8-11)21-16-14-15(18(25)26)22-23(17(14)20-9-19-16)10-29-5-6-31(2,3)4;1-28(25,26)11-7-12(13(24)8-11)21-16-14-15(18)22-23(17(14)20-9-19-16)10-27-5-6-29(2,3)4;1-19(2,3)5-4-18-7-17-11-8(9(12)16-17)10(13)14-6-15-11;1-11(9,10)4-2-5(7)6(8)3-4;1-2;;/h5-6,9,13,17,19-20,34H,7-8,10-12,14H2,1-4H3,(H,28,35)(H,29,30,31);10,12-14,25H,6-9,11H2,1-5H3,(H,20,21,22);9,11-13,24H,5-8,10H2,1-4H3,(H,25,26)(H,19,20,21);9,11-13,24H,5-8,10H2,1-4H3,(H,19,20,21);6H,4-5,7H2,1-3H3;4-6,8H,2-3,7H2,1H3;1H3;;1H2/q;;;;;;;+1;/p-1/t17-,19?,20-;12-,13?,14-;2*11-,12?,13-;;4-,5-,6-;;;/m1111.1.../s1/i;;;;;;1D;;
InChIKeyKCORENLONYTOFP-BIVOCZDSSA-M
MW2678.48 g/mol
LogP7.25
Rot. Bonds43

About sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide

sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide (PubChem CID 159095217) has the molecular formula C97H155Br2ClF3N26NaO26S5Si5 and a molecular weight of 2678.48 g/mol. Its IUPAC name is sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide.

Molecular Properties

Compound Namesodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide
PubChem CID159095217
Molecular FormulaC97H155Br2ClF3N26NaO26S5Si5
Molecular Weight2678.48 g/mol
Exact Mass2673.70
IUPAC Namesodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)c12.CS(=O)(=O)[C@@H]1C[C@@H](N)[C@H](O)C1.C[Si](C)(C)CCOCn1nc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1nc(Br)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)NCc2cc(F)ccc2F)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.[2H]CF.[Na+].[OH-]
InChIInChI=1S/C25H34F2N6O5SSi.C19H31N5O6SSi.C18H29N5O6SSi.C17H28BrN5O4SSi.C11H16BrClN4OSi.C6H13NO3S.CH3F.Na.H2O/c1-39(36,37)17-10-19(20(34)11-17)31-23-21-22(25(35)28-12-15-9-16(26)5-6-18(15)27)32-33(24(21)30-13-29-23)14-38-7-8-40(2,3)4;1-29-19(26)16-15-17(22-13-8-12(9-14(13)25)31(2,27)28)20-10-21-18(15)24(23-16)11-30-6-7-32(3,4)5;1-30(27,28)11-7-12(13(24)8-11)21-16-14-15(18(25)26)22-23(17(14)20-9-19-16)10-29-5-6-31(2,3)4;1-28(25,26)11-7-12(13(24)8-11)21-16-14-15(18)22-23(17(14)20-9-19-16)10-27-5-6-29(2,3)4;1-19(2,3)5-4-18-7-17-11-8(9(12)16-17)10(13)14-6-15-11;1-11(9,10)4-2-5(7)6(8)3-4;1-2;;/h5-6,9,13,17,19-20,34H,7-8,10-12,14H2,1-4H3,(H,28,35)(H,29,30,31);10,12-14,25H,6-9,11H2,1-5H3,(H,20,21,22);9,11-13,24H,5-8,10H2,1-4H3,(H,25,26)(H,19,20,21);9,11-13,24H,5-8,10H2,1-4H3,(H,19,20,21);6H,4-5,7H2,1-3H3;4-6,8H,2-3,7H2,1H3;1H3;;1H2/q;;;;;;;+1;/p-1/t17-,19?,20-;12-,13?,14-;2*11-,12?,13-;;4-,5-,6-;;;/m1111.1.../s1/i;;;;;;1D;;
InChIKeyKCORENLONYTOFP-BIVOCZDSSA-M
XLogP7.25
TPSA732.84 Ų
H-Bond Donors12
H-Bond Acceptors50
Rotatable Bonds43
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002678.48
LogP ≤ 57.25
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide?
The IUPAC name of sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide (CID 159095217) is sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide.
What is the SMILES notation for sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide?
The canonical SMILES for sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide is COC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)c12.CS(=O)(=O)[C@@H]1C[C@@H](N)[C@H](O)C1.C[Si](C)(C)CCOCn1nc(Br)c2c(Cl)ncnc21.C[Si](C)(C)CCOCn1nc(Br)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)NCc2cc(F)ccc2F)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3C[C@@H](S(C)(=O)=O)C[C@H]3O)ncnc21.[2H]CF.[Na+].[OH-].
What is the InChIKey of sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide?
The InChIKey is KCORENLONYTOFP-BIVOCZDSSA-M. The full InChI is InChI=1S/C25H34F2N6O5SSi.C19H31N5O6SSi.C18H29N5O6SSi.C17H28BrN5O4SSi.C11H16BrClN4OSi.C6H13NO3S.CH3F.Na.H2O/c1-39(36,37)17-10-19(20(34)11-17)31-23-21-22(25(35)28-12-15-9-16(26)5-6-18(15)27)32-33(24(21)30-13-29-23)14-38-7-8-40(2,3)4;1-29-19(26)16-15-17(22-13-8-12(9-14(13)25)31(2,27)28)20-10-21-18(15)24(23-16)11-30-6-7-32(3,4)5;1-30(27,28)11-7-12(13(24)8-11)21-16-14-15(18(25)26)22-23(17(14)20-9-19-16)10-29-5-6-31(2,3)4;1-28(25,26)11-7-12(13(24)8-11)21-16-14-15(18)22-23(17(14)20-9-19-16)10-27-5-6-29(2,3)4;1-19(2,3)5-4-18-7-17-11-8(9(12)16-17)10(13)14-6-15-11;1-11(9,10)4-2-5(7)6(8)3-4;1-2;;/h5-6,9,13,17,19-20,34H,7-8,10-12,14H2,1-4H3,(H,28,35)(H,29,30,31);10,12-14,25H,6-9,11H2,1-5H3,(H,20,21,22);9,11-13,24H,5-8,10H2,1-4H3,(H,25,26)(H,19,20,21);9,11-13,24H,5-8,10H2,1-4H3,(H,19,20,21);6H,4-5,7H2,1-3H3;4-6,8H,2-3,7H2,1H3;1H3;;1H2/q;;;;;;;+1;/p-1/t17-,19?,20-;12-,13?,14-;2*11-,12?,13-;;4-,5-,6-;;;/m1111.1.../s1/i;;;;;;1D;;.
What are the key properties of sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide?
sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide has a molecular weight of 2678.48 g/mol, XLogP of 7.25, 43 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(1R,2R,4R)-2-amino-4-methylsulfonylcyclopentan-1-ol;2-[(3-bromo-4-chloropyrazolo[5,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane;deuterio(fluoro)methane;N-[(2,5-difluorophenyl)methyl]-4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide;4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2R,4R)-2-hydroxy-4-methylsulfonylcyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;trans-(1R,4R)-2-[[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-4-methylsulfonylcyclopentan-1-ol;hydroxide is sourced from PubChem (CID 159095217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).