2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile

C27H29N5OSi — CID 140775640

About 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile

2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile (PubChem CID 140775640) has the molecular formula C27H29N5OSi and a molecular weight of 467.65 g/mol. Its IUPAC name is 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile.

Molecular Properties

• Compound Name: 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile
• PubChem CID: 140775640
• Molecular Formula: C27H29N5OSi
• Molecular Weight: 467.65 g/mol
• Exact Mass: 467.21
• IUPAC Name: 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile
• SMILES: C[Si](C)(C)CCOCn1ccc2c(-c3cncc(C4(C#N)Cc5ccccc5C4)c3)ncnc21
• InChI: InChI=1S/C27H29N5OSi/c1-34(2,3)11-10-33-19-32-9-8-24-25(30-18-31-26(24)32)22-12-23(16-29-15-22)27(17-28)13-20-6-4-5-7-21(20)14-27/h4-9,12,15-16,18H,10-11,13-14,19H2,1-3H3
• InChIKey: OKBOGPBTGUXWFQ-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 76.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.65
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile?

The IUPAC name of 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile (CID 140775640) is 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile.

What is the SMILES notation for 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile?

The canonical SMILES for 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile is C[Si](C)(C)CCOCn1ccc2c(-c3cncc(C4(C#N)Cc5ccccc5C4)c3)ncnc21.

What is the InChIKey of 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile?

The InChIKey is OKBOGPBTGUXWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5OSi/c1-34(2,3)11-10-33-19-32-9-8-24-25(30-18-31-26(24)32)22-12-23(16-29-15-22)27(17-28)13-20-6-4-5-7-21(20)14-27/h4-9,12,15-16,18H,10-11,13-14,19H2,1-3H3.

What are the key properties of 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile?

2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile has a molecular weight of 467.65 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyridinyl]-1,3-dihydroindene-2-carbonitrile is sourced from PubChem (CID 140775640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).