[(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

C24H35FN6O3SSi — CID 153295345

About [(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

[(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 (PubChem CID 153295345) has the molecular formula C24H35FN6O3SSi and a molecular weight of 534.73 g/mol. Its IUPAC name is [(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.

Molecular Properties

• Compound Name: [(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
• PubChem CID: 153295345
• Molecular Formula: C24H35FN6O3SSi
• Molecular Weight: 534.73 g/mol
• Exact Mass: 534.22
• IUPAC Name: [(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
• SMILES: CC(C)[Si](O[C@H]1[C@H](F)[C@H](n2nc(Sc3ccncc3)c3c(N)ncnc32)O[C@@H]1CO)(C(C)C)C(C)C
• InChI: InChI=1S/C24H35FN6O3SSi/c1-13(2)36(14(3)4,15(5)6)34-20-17(11-32)33-24(19(20)25)31-22-18(21(26)28-12-29-22)23(30-31)35-16-7-9-27-10-8-16/h7-10,12-15,17,19-20,24,32H,11H2,1-6H3,(H2,26,28,29)/t17-,19+,20-,24-/m1/s1
• InChIKey: MGQGEFZUTCMXOZ-SSYAZSBWSA-N
• XLogP: 4.74
• TPSA: 121.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.73
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(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?

The IUPAC name of [(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) is [(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.

What is the SMILES notation for [(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?

The canonical SMILES for [(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 is CC(C)[Si](O[C@H]1[C@H](F)[C@H](n2nc(Sc3ccncc3)c3c(N)ncnc32)O[C@@H]1CO)(C(C)C)C(C)C.

What is the InChIKey of [(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?

The InChIKey is MGQGEFZUTCMXOZ-SSYAZSBWSA-N. The full InChI is InChI=1S/C24H35FN6O3SSi/c1-13(2)36(14(3)4,15(5)6)34-20-17(11-32)33-24(19(20)25)31-22-18(21(26)28-12-29-22)23(30-31)35-16-7-9-27-10-8-16/h7-10,12-15,17,19-20,24,32H,11H2,1-6H3,(H2,26,28,29)/t17-,19+,20-,24-/m1/s1.

What are the key properties of [(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?

[(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 has a molecular weight of 534.73 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(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 is sourced from PubChem (CID 153295345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).