3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one

C25H37N5O3Si2 — CID 67078620

IUPAC3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1ccc2cc(-c3cnc4c(c3)[nH]c(=O)n4COCC[Si](C)(C)C)cnc21
InChIInChI=1S/C25H37N5O3Si2/c1-34(2,3)11-9-32-17-29-8-7-19-13-20(15-26-23(19)29)21-14-22-24(27-16-21)30(25(31)28-22)18-33-10-12-35(4,5)6/h7-8,13-16H,9-12,17-18H2,1-6H3,(H,28,31)
InChIKeyDQQSGBWCZRUFIY-UHFFFAOYSA-N
MW511.78 g/mol
LogP5.37
Rot. Bonds11

About 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one

3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one (PubChem CID 67078620) has the molecular formula C25H37N5O3Si2 and a molecular weight of 511.78 g/mol. Its IUPAC name is 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
PubChem CID67078620
Molecular FormulaC25H37N5O3Si2
Molecular Weight511.78 g/mol
Exact Mass511.24
IUPAC Name3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one
SMILESC[Si](C)(C)CCOCn1ccc2cc(-c3cnc4c(c3)[nH]c(=O)n4COCC[Si](C)(C)C)cnc21
InChIInChI=1S/C25H37N5O3Si2/c1-34(2,3)11-9-32-17-29-8-7-19-13-20(15-26-23(19)29)21-14-22-24(27-16-21)30(25(31)28-22)18-33-10-12-35(4,5)6/h7-8,13-16H,9-12,17-18H2,1-6H3,(H,28,31)
InChIKeyDQQSGBWCZRUFIY-UHFFFAOYSA-N
XLogP5.37
TPSA86.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.78
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one (CID 67078620) is 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one is C[Si](C)(C)CCOCn1ccc2cc(-c3cnc4c(c3)[nH]c(=O)n4COCC[Si](C)(C)C)cnc21.
What is the InChIKey of 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DQQSGBWCZRUFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O3Si2/c1-34(2,3)11-9-32-17-29-8-7-19-13-20(15-26-23(19)29)21-14-22-24(27-16-21)30(25(31)28-22)18-33-10-12-35(4,5)6/h7-8,13-16H,9-12,17-18H2,1-6H3,(H,28,31).
What are the key properties of 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one?
3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 511.78 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-trimethylsilylethoxymethyl)-6-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-1H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 67078620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).