1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

C23H42FN5O3SSi2 — CID 153295241

IUPAC1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)c2ncnc(N)c12
InChIInChI=1S/C23H42FN5O3SSi2/c1-22(2,3)34(8,9)30-12-14-17(32-35(10,11)23(4,5)6)16(24)21(31-14)29-19-15(20(28-29)33-7)18(25)26-13-27-19/h13-14,16-17,21H,12H2,1-11H3,(H2,25,26,27)/t14-,16-,17+,21+/m0/s1
InChIKeyWCIKFWJCLXSXBZ-JKXYVKTPSA-N
MW543.86 g/mol
LogP5.78
Rot. Bonds7

About 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine

1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 153295241) has the molecular formula C23H42FN5O3SSi2 and a molecular weight of 543.86 g/mol. Its IUPAC name is 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID153295241
Molecular FormulaC23H42FN5O3SSi2
Molecular Weight543.86 g/mol
Exact Mass543.25
IUPAC Name1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCSc1nn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)c2ncnc(N)c12
InChIInChI=1S/C23H42FN5O3SSi2/c1-22(2,3)34(8,9)30-12-14-17(32-35(10,11)23(4,5)6)16(24)21(31-14)29-19-15(20(28-29)33-7)18(25)26-13-27-19/h13-14,16-17,21H,12H2,1-11H3,(H2,25,26,27)/t14-,16-,17+,21+/m0/s1
InChIKeyWCIKFWJCLXSXBZ-JKXYVKTPSA-N
XLogP5.78
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.86
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine 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

9-[(2R,3R,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-8-fluoropurin-6-amine
CID 23656642
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3-[tert-butyl(dimethyl)silyl]oxy-4-fluorooxolan-2-yl]methanol
CID 174057752
2-[1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]propan-2-ol
CID 153295276
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] acetate
CID 146018019
9-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-prop-2-enoxyoxolan-2-yl]purin-6-amine
CID 175677046
[(2R,3R,4S,5R)-5-(4-amino-3-pyridin-4-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-4-fluoro-3-tri(propan-2-yl)silyloxyoxolan-2-yl]methanol
CID 153295345
[(2S,3S,4S,5S)-5-(4-amino-3-propan-2-ylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)-3-benzoyloxy-4-fluorooxolan-2-yl]methyl benzoate
CID 134501150
O-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methylsulfanylcarbothioyloxyoxolan-3-yl] methylsulfanylmethanethioate
CID 11284410
[(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] butanoate
CID 146018021
[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-phenoxymethanethione
CID 11072271
(1S)-1-[1-[(3aR,4R,6R,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-4-aminopyrazolo[3,4-d]pyrimidin-3-yl]ethanol
CID 152529185
4-(15N)azanyl-1-[(2R,3R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-2-oxo(315N)pyrimidine-5-carbaldehyde
CID 131709880

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine (CID 153295241) is 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is CSc1nn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2F)c2ncnc(N)c12.
What is the InChIKey of 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WCIKFWJCLXSXBZ-JKXYVKTPSA-N. The full InChI is InChI=1S/C23H42FN5O3SSi2/c1-22(2,3)34(8,9)30-12-14-17(32-35(10,11)23(4,5)6)16(24)21(31-14)29-19-15(20(28-29)33-7)18(25)26-13-27-19/h13-14,16-17,21H,12H2,1-11H3,(H2,25,26,27)/t14-,16-,17+,21+/m0/s1.
What are the key properties of 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 543.86 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-fluorooxolan-2-yl]-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 153295241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).