2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

C26H31FN6O2Si — CID 162760133

About 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 162760133) has the molecular formula C26H31FN6O2Si and a molecular weight of 506.66 g/mol. Its IUPAC name is 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 162760133
• Molecular Formula: C26H31FN6O2Si
• Molecular Weight: 506.66 g/mol
• Exact Mass: 506.23
• IUPAC Name: 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: Cc1nc(-c2c(-c3ccc(F)cc3)nn3c2OCC2(CC2)C3)c2cnn(COCC[Si](C)(C)C)c2n1
• InChI: InChI=1S/C26H31FN6O2Si/c1-17-29-23(20-13-28-33(24(20)30-17)16-34-11-12-36(2,3)4)21-22(18-5-7-19(27)8-6-18)31-32-14-26(9-10-26)15-35-25(21)32/h5-8,13H,9-12,14-16H2,1-4H3
• InChIKey: CDETXBBBMSGFSB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 79.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.66
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
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 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane (CID 162760133) is 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc(-c2c(-c3ccc(F)cc3)nn3c2OCC2(CC2)C3)c2cnn(COCC[Si](C)(C)C)c2n1.

What is the InChIKey of 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is CDETXBBBMSGFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2Si/c1-17-29-23(20-13-28-33(24(20)30-17)16-34-11-12-36(2,3)4)21-22(18-5-7-19(27)8-6-18)31-32-14-26(9-10-26)15-35-25(21)32/h5-8,13H,9-12,14-16H2,1-4H3.

What are the key properties of 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 506.66 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[2-(4-fluorophenyl)spiro[5,7-dihydropyrazolo[5,1-b][1,3]oxazine-6,1'-cyclopropane]-3-yl]-6-methylpyrazolo[3,4-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 162760133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).