sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide

C35H55F2N10NaO9Si2 — CID 158324914

About sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide

sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide (PubChem CID 158324914) has the molecular formula C35H55F2N10NaO9Si2 and a molecular weight of 877.04 g/mol. Its IUPAC name is sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide
• PubChem CID: 158324914
• Molecular Formula: C35H55F2N10NaO9Si2
• Molecular Weight: 877.04 g/mol
• Exact Mass: 876.36
• IUPAC Name: sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide
• SMILES: COC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NC3CC[C@H](F)[C@H]3O)c12.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3CC[C@H](F)[C@H]3O)ncnc21.[Na+].[OH-]
• InChI: InChI=1S/C18H28FN5O4Si.C17H26FN5O4Si.Na.H2O/c1-27-18(26)14-13-16(22-12-6-5-11(19)15(12)25)20-9-21-17(13)24(23-14)10-28-7-8-29(2,3)4;1-28(2,3)7-6-27-9-23-16-12(13(22-23)17(25)26)15(19-8-20-16)21-11-5-4-10(18)14(11)24;;/h9,11-12,15,25H,5-8,10H2,1-4H3,(H,20,21,22);8,10-11,14,24H,4-7,9H2,1-3H3,(H,25,26)(H,19,20,21);;1H2/q;;+1;/p-1/t11-,12?,15+;10-,11?,14+;;/m00../s1
• InChIKey: GPHFBTADURWNBB-WZSQILKPSA-M
• XLogP: 1.14
• TPSA: 263.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	877.04
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide?

The IUPAC name of sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide (CID 158324914) is sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide.

What is the SMILES notation for sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide?

The canonical SMILES for sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide is COC(=O)c1nn(COCC[Si](C)(C)C)c2ncnc(NC3CC[C@H](F)[C@H]3O)c12.C[Si](C)(C)CCOCn1nc(C(=O)O)c2c(NC3CC[C@H](F)[C@H]3O)ncnc21.[Na+].[OH-].

What is the InChIKey of sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide?

The InChIKey is GPHFBTADURWNBB-WZSQILKPSA-M. The full InChI is InChI=1S/C18H28FN5O4Si.C17H26FN5O4Si.Na.H2O/c1-27-18(26)14-13-16(22-12-6-5-11(19)15(12)25)20-9-21-17(13)24(23-14)10-28-7-8-29(2,3)4;1-28(2,3)7-6-27-9-23-16-12(13(22-23)17(25)26)15(19-8-20-16)21-11-5-4-10(18)14(11)24;;/h9,11-12,15,25H,5-8,10H2,1-4H3,(H,20,21,22);8,10-11,14,24H,4-7,9H2,1-3H3,(H,25,26)(H,19,20,21);;1H2/q;;+1;/p-1/t11-,12?,15+;10-,11?,14+;;/m00../s1.

What are the key properties of sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide?

sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide has a molecular weight of 877.04 g/mol, XLogP of 1.14, 16 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylic acid;methyl 4-[[(2S,3S)-3-fluoro-2-hydroxycyclopentyl]amino]-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboxylate;hydroxide is sourced from PubChem (CID 158324914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).