2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C20H24N4OSi — CID 140752045

IUPAC2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3c[nH]c4ccccc34)ncnc21
InChIInChI=1S/C20H24N4OSi/c1-26(2,3)11-10-25-14-24-9-8-16-19(22-13-23-20(16)24)17-12-21-18-7-5-4-6-15(17)18/h4-9,12-13,21H,10-11,14H2,1-3H3
InChIKeyHTLPPMNZUBJQJS-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.89
Rot. Bonds6

About 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140752045) has the molecular formula C20H24N4OSi and a molecular weight of 364.53 g/mol. Its IUPAC name is 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID140752045
Molecular FormulaC20H24N4OSi
Molecular Weight364.53 g/mol
Exact Mass364.17
IUPAC Name2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3c[nH]c4ccccc34)ncnc21
InChIInChI=1S/C20H24N4OSi/c1-26(2,3)11-10-25-14-24-9-8-16-19(22-13-23-20(16)24)17-12-21-18-7-5-4-6-15(17)18/h4-9,12-13,21H,10-11,14H2,1-3H3
InChIKeyHTLPPMNZUBJQJS-UHFFFAOYSA-N
XLogP4.89
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 140752045) is 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3c[nH]c4ccccc34)ncnc21.
What is the InChIKey of 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HTLPPMNZUBJQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OSi/c1-26(2,3)11-10-25-14-24-9-8-16-19(22-13-23-20(16)24)17-12-21-18-7-5-4-6-15(17)18/h4-9,12-13,21H,10-11,14H2,1-3H3.
What are the key properties of 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 364.53 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140752045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).