(4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

C28H34FN7O3Si — CID 67033221

About (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one

(4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67033221) has the molecular formula C28H34FN7O3Si and a molecular weight of 563.71 g/mol. Its IUPAC name is (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
• PubChem CID: 67033221
• Molecular Formula: C28H34FN7O3Si
• Molecular Weight: 563.71 g/mol
• Exact Mass: 563.25
• IUPAC Name: (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
• SMILES: C[Si](C)(C)CCOCc1nc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5C5CCCC5)nc34)cc2F)n[nH]1
• InChI: InChI=1S/C28H34FN7O3Si/c1-40(2,3)13-12-38-17-24-31-26(34-33-24)20-9-8-19(14-22(20)29)21-15-30-35-11-10-25(32-27(21)35)36-23(16-39-28(36)37)18-6-4-5-7-18/h8-11,14-15,18,23H,4-7,12-13,16-17H2,1-3H3,(H,31,33,34)/t23-/m1/s1
• InChIKey: KNAVRBWRCJRAFO-HSZRJFAPSA-N
• XLogP: 5.69
• TPSA: 110.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.71
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67033221) is (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is C[Si](C)(C)CCOCc1nc(-c2ccc(-c3cnn4ccc(N5C(=O)OC[C@@H]5C5CCCC5)nc34)cc2F)n[nH]1.

What is the InChIKey of (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?

The InChIKey is KNAVRBWRCJRAFO-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H34FN7O3Si/c1-40(2,3)13-12-38-17-24-31-26(34-33-24)20-9-8-19(14-22(20)29)21-15-30-35-11-10-25(32-27(21)35)36-23(16-39-28(36)37)18-6-4-5-7-18/h8-11,14-15,18,23H,4-7,12-13,16-17H2,1-3H3,(H,31,33,34)/t23-/m1/s1.

What are the key properties of (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?

(4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 563.71 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-cyclopentyl-3-[3-[3-fluoro-4-[5-(2-trimethylsilylethoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67033221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).