[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

C21H27FN2O3Si — CID 131735517

IUPAC[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2c1c(CO)cn2COCC[Si](C)(C)C
InChIInChI=1S/C21H27FN2O3Si/c1-26-19-6-5-16(22)11-18(19)17-7-8-23-21-20(17)15(13-25)12-24(21)14-27-9-10-28(2,3)4/h5-8,11-12,25H,9-10,13-14H2,1-4H3
InChIKeySSSFGJBLOMRNPH-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.66
Rot. Bonds8

About [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol

[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (PubChem CID 131735517) has the molecular formula C21H27FN2O3Si and a molecular weight of 402.54 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
PubChem CID131735517
Molecular FormulaC21H27FN2O3Si
Molecular Weight402.54 g/mol
Exact Mass402.18
IUPAC Name[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
SMILESCOc1ccc(F)cc1-c1ccnc2c1c(CO)cn2COCC[Si](C)(C)C
InChIInChI=1S/C21H27FN2O3Si/c1-26-19-6-5-16(22)11-18(19)17-7-8-23-21-20(17)15(13-25)12-24(21)14-27-9-10-28(2,3)4/h5-8,11-12,25H,9-10,13-14H2,1-4H3
InChIKeySSSFGJBLOMRNPH-UHFFFAOYSA-N
XLogP4.66
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The IUPAC name of [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol (CID 131735517) is [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol.
What is the SMILES notation for [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The canonical SMILES for [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is COc1ccc(F)cc1-c1ccnc2c1c(CO)cn2COCC[Si](C)(C)C.
What is the InChIKey of [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
The InChIKey is SSSFGJBLOMRNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3Si/c1-26-19-6-5-16(22)11-18(19)17-7-8-23-21-20(17)15(13-25)12-24(21)14-27-9-10-28(2,3)4/h5-8,11-12,25H,9-10,13-14H2,1-4H3.
What are the key properties of [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol?
[4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol has a molecular weight of 402.54 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methoxyphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol is sourced from PubChem (CID 131735517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).