2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C23H28N4OSi — CID 57477675

IUPAC2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(Cc4ccccc4)c3)ccnc21
InChIInChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-18-26-12-10-22-21(9-11-24-23(22)26)20-15-25-27(17-20)16-19-7-5-4-6-8-19/h4-12,15,17H,13-14,16,18H2,1-3H3
InChIKeyQCHNPGBYURCJLE-UHFFFAOYSA-N
MW404.59 g/mol
LogP5.26
Rot. Bonds8

About 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 57477675) has the molecular formula C23H28N4OSi and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID57477675
Molecular FormulaC23H28N4OSi
Molecular Weight404.59 g/mol
Exact Mass404.20
IUPAC Name2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(Cc4ccccc4)c3)ccnc21
InChIInChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-18-26-12-10-22-21(9-11-24-23(22)26)20-15-25-27(17-20)16-19-7-5-4-6-8-19/h4-12,15,17H,13-14,16,18H2,1-3H3
InChIKeyQCHNPGBYURCJLE-UHFFFAOYSA-N
XLogP5.26
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.59
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 57477675) is 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(Cc4ccccc4)c3)ccnc21.
What is the InChIKey of 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is QCHNPGBYURCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OSi/c1-29(2,3)14-13-28-18-26-12-10-22-21(9-11-24-23(22)26)20-15-25-27(17-20)16-19-7-5-4-6-8-19/h4-12,15,17H,13-14,16,18H2,1-3H3.
What are the key properties of 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 404.59 g/mol, XLogP of 5.26, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1-benzylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 57477675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).