[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol

C17H25BrN2O2Si — CID 150791440

IUPAC[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C2CC2CO)c2c(Br)ccnc21
InChIInChI=1S/C17H25BrN2O2Si/c1-23(2,3)7-6-22-11-20-9-14(13-8-12(13)10-21)16-15(18)4-5-19-17(16)20/h4-5,9,12-13,21H,6-8,10-11H2,1-3H3
InChIKeyKDXYYMCDEGLJCU-UHFFFAOYSA-N
MW397.39 g/mol
LogP4.21
Rot. Bonds7

About [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol

[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol (PubChem CID 150791440) has the molecular formula C17H25BrN2O2Si and a molecular weight of 397.39 g/mol. Its IUPAC name is [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
PubChem CID150791440
Molecular FormulaC17H25BrN2O2Si
Molecular Weight397.39 g/mol
Exact Mass396.09
IUPAC Name[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol
SMILESC[Si](C)(C)CCOCn1cc(C2CC2CO)c2c(Br)ccnc21
InChIInChI=1S/C17H25BrN2O2Si/c1-23(2,3)7-6-22-11-20-9-14(13-8-12(13)10-21)16-15(18)4-5-19-17(16)20/h4-5,9,12-13,21H,6-8,10-11H2,1-3H3
InChIKeyKDXYYMCDEGLJCU-UHFFFAOYSA-N
XLogP4.21
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

methyl 2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]acetate
CID 140891564
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 168933803
trimethyl-[2-[(4-methylsulfanyl-3-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169588
trimethyl-[2-[(3-phenyl-4-pyrrol-1-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl]silane
CID 146169697
2-[(4-chloro-3-ethylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 67502225
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851
4-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxy-3,5-difluoroaniline
CID 142494847
trimethyl-[2-[[4-(oxolan-3-yloxy)-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 146169583
2-[[3-bromo-4-(3-fluoro-4-methylphenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174084948
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960
2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 152586892
4-fluoro-2-[3-(hydroxymethyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]phenol
CID 137199432

Frequently Asked Questions

What is the IUPAC name of [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol?
The IUPAC name of [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol (CID 150791440) is [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol.
What is the SMILES notation for [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol?
The canonical SMILES for [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol is C[Si](C)(C)CCOCn1cc(C2CC2CO)c2c(Br)ccnc21.
What is the InChIKey of [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol?
The InChIKey is KDXYYMCDEGLJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2Si/c1-23(2,3)7-6-22-11-20-9-14(13-8-12(13)10-21)16-15(18)4-5-19-17(16)20/h4-5,9,12-13,21H,6-8,10-11H2,1-3H3.
What are the key properties of [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol?
[2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol has a molecular weight of 397.39 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]cyclopropyl]methanol is sourced from PubChem (CID 150791440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).