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

C29H29ClFN7O3Si — CID 67034365

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

4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 67034365) has the molecular formula C29H29ClFN7O3Si and a molecular weight of 606.13 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
• PubChem CID: 67034365
• Molecular Formula: C29H29ClFN7O3Si
• Molecular Weight: 606.13 g/mol
• Exact Mass: 605.18
• IUPAC Name: 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one
• SMILES: C[Si](C)(C)CCOCn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OCC5c5ccccc5Cl)nc34)cc2F)n1
• InChI: InChI=1S/C29H29ClFN7O3Si/c1-42(2,3)13-12-40-18-36-17-32-27(35-36)21-9-8-19(14-24(21)31)22-15-33-37-11-10-26(34-28(22)37)38-25(16-41-29(38)39)20-6-4-5-7-23(20)30/h4-11,14-15,17,25H,12-13,16,18H2,1-3H3
• InChIKey: MUDDKQNQVCOFLU-UHFFFAOYSA-N
• XLogP: 6.46
• TPSA: 99.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.13
LogP ≤ 5	6.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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

The IUPAC name of 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one (CID 67034365) is 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-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 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is C[Si](C)(C)CCOCn1cnc(-c2ccc(-c3cnn4ccc(N5C(=O)OCC5c5ccccc5Cl)nc34)cc2F)n1.

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

The InChIKey is MUDDKQNQVCOFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN7O3Si/c1-42(2,3)13-12-40-18-36-17-32-27(35-36)21-9-8-19(14-24(21)31)22-15-33-37-11-10-26(34-28(22)37)38-25(16-41-29(38)39)20-6-4-5-7-23(20)30/h4-11,14-15,17,25H,12-13,16,18H2,1-3H3.

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

4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 606.13 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chlorophenyl)-3-[3-[3-fluoro-4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67034365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).