2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one

C19H27BrN4O2Si — CID 156747126

IUPAC2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CC4(CCNC4=O)C3)c(Br)cnc21
InChIInChI=1S/C19H27BrN4O2Si/c1-27(2,3)9-8-26-13-23-7-4-14-16(15(20)10-22-17(14)23)24-11-19(12-24)5-6-21-18(19)25/h4,7,10H,5-6,8-9,11-13H2,1-3H3,(H,21,25)
InChIKeyQXHOOBPPYSOHMY-UHFFFAOYSA-N
MW451.44 g/mol
LogP3.44
Rot. Bonds6

About 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one

2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one (PubChem CID 156747126) has the molecular formula C19H27BrN4O2Si and a molecular weight of 451.44 g/mol. Its IUPAC name is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one.

Molecular Properties

Compound Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one
PubChem CID156747126
Molecular FormulaC19H27BrN4O2Si
Molecular Weight451.44 g/mol
Exact Mass450.11
IUPAC Name2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one
SMILESC[Si](C)(C)CCOCn1ccc2c(N3CC4(CCNC4=O)C3)c(Br)cnc21
InChIInChI=1S/C19H27BrN4O2Si/c1-27(2,3)9-8-26-13-23-7-4-14-16(15(20)10-22-17(14)23)24-11-19(12-24)5-6-21-18(19)25/h4,7,10H,5-6,8-9,11-13H2,1-3H3,(H,21,25)
InChIKeyQXHOOBPPYSOHMY-UHFFFAOYSA-N
XLogP3.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-2,7-diazaspiro[3.4]octan-6-one
CID 156747130
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
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 162477897
1-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]propan-1-one
CID 71258460
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
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
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
7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 70983690

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one?
The IUPAC name of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one (CID 156747126) is 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one.
What is the SMILES notation for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one?
The canonical SMILES for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one is C[Si](C)(C)CCOCn1ccc2c(N3CC4(CCNC4=O)C3)c(Br)cnc21.
What is the InChIKey of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one?
The InChIKey is QXHOOBPPYSOHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN4O2Si/c1-27(2,3)9-8-26-13-23-7-4-14-16(15(20)10-22-17(14)23)24-11-19(12-24)5-6-21-18(19)25/h4,7,10H,5-6,8-9,11-13H2,1-3H3,(H,21,25).
What are the key properties of 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one?
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one has a molecular weight of 451.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]-2,6-diazaspiro[3.4]octan-5-one is sourced from PubChem (CID 156747126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).