8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C20H29BrN4O3Si — CID 156747121

IUPAC8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CCC4(CC3)CNC(=O)O4)c(Br)cnc21
InChIInChI=1S/C20H29BrN4O3Si/c1-29(2,3)11-10-27-14-25-7-4-15-17(16(21)12-22-18(15)25)24-8-5-20(6-9-24)13-23-19(26)28-20/h4,7,12H,5-6,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyVMOUXIUJKDSCSQ-UHFFFAOYSA-N
MW481.47 g/mol
LogP4.19
Rot. Bonds6

About 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 156747121) has the molecular formula C20H29BrN4O3Si and a molecular weight of 481.47 g/mol. Its IUPAC name is 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID156747121
Molecular FormulaC20H29BrN4O3Si
Molecular Weight481.47 g/mol
Exact Mass480.12
IUPAC Name8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CCC4(CC3)CNC(=O)O4)c(Br)cnc21
InChIInChI=1S/C20H29BrN4O3Si/c1-29(2,3)11-10-27-14-25-7-4-15-17(16(21)12-22-18(15)25)24-8-5-20(6-9-24)13-23-19(26)28-20/h4,7,12H,5-6,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyVMOUXIUJKDSCSQ-UHFFFAOYSA-N
XLogP4.19
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one
CID 156747126
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,7-diazaspiro[3.4]octan-6-one
CID 156747130
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897
2-[[4-(1,7-diazaspiro[3.4]octan-7-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 172817129
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carboxamide
CID 71258387
4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbaldehyde
CID 86676739
1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
CID 71258460
13-[4-(dimethoxymethyl)cyclohexyl]-11-methyl-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
CID 123788808
trimethyl-[2-[(4-pyrazol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 163832201
13-cyclohexyl-11-methyl-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-10-one
CID 90335875
trimethyl-[2-[(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl]silane
CID 59420154
8a-methyl-7-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-3,4,4a,5,6,8-hexahydro-2H-2,7-naphthyridin-1-one
CID 153297374

Frequently Asked Questions

What is the IUPAC name of 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 156747121) is 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C[Si](C)(C)CCOCn1ccc2c(N3CCC4(CC3)CNC(=O)O4)c(Br)cnc21.
What is the InChIKey of 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VMOUXIUJKDSCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN4O3Si/c1-29(2,3)11-10-27-14-25-7-4-15-17(16(21)12-22-18(15)25)24-8-5-20(6-9-24)13-23-19(26)28-20/h4,7,12H,5-6,8-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 481.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 156747121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).