[6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane

C29H43FN4OSi2 — CID 140752047

About [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane

[6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane (PubChem CID 140752047) has the molecular formula C29H43FN4OSi2 and a molecular weight of 538.86 g/mol. Its IUPAC name is [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane
• PubChem CID: 140752047
• Molecular Formula: C29H43FN4OSi2
• Molecular Weight: 538.86 g/mol
• Exact Mass: 538.30
• IUPAC Name: [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane
• SMILES: CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)c2ccc(F)cc21
• InChI: InChI=1S/C29H43FN4OSi2/c1-20(2)37(21(3)4,22(5)6)34-17-26(24-11-10-23(30)16-27(24)34)28-25-12-13-33(29(25)32-18-31-28)19-35-14-15-36(7,8)9/h10-13,16-18,20-22H,14-15,19H2,1-9H3
• InChIKey: QELRADPFJXXMRW-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.86
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane?

The IUPAC name of [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane (CID 140752047) is [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane.

What is the SMILES notation for [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane?

The canonical SMILES for [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)c2ccc(F)cc21.

What is the InChIKey of [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane?

The InChIKey is QELRADPFJXXMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43FN4OSi2/c1-20(2)37(21(3)4,22(5)6)34-17-26(24-11-10-23(30)16-27(24)34)28-25-12-13-33(29(25)32-18-31-28)19-35-14-15-36(7,8)9/h10-13,16-18,20-22H,14-15,19H2,1-9H3.

What are the key properties of [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane?

[6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 538.86 g/mol, XLogP of 8.53, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [6-fluoro-3-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]indol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 140752047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).