5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

C16H26BrN3OSi — CID 162477897

IUPAC5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)Nc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C
InChIInChI=1S/C16H26BrN3OSi/c1-12(2)19-15-13-6-7-20(16(13)18-10-14(15)17)11-21-8-9-22(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyFZMJRSLTOIIMTO-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.93
Rot. Bonds7

About 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine

5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 162477897) has the molecular formula C16H26BrN3OSi and a molecular weight of 384.39 g/mol. Its IUPAC name is 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
PubChem CID162477897
Molecular FormulaC16H26BrN3OSi
Molecular Weight384.39 g/mol
Exact Mass383.10
IUPAC Name5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
SMILESCC(C)Nc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C
InChIInChI=1S/C16H26BrN3OSi/c1-12(2)19-15-13-6-7-20(16(13)18-10-14(15)17)11-21-8-9-22(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,19)
InChIKeyFZMJRSLTOIIMTO-UHFFFAOYSA-N
XLogP4.93
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.93
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine (CID 162477897) is 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is CC(C)Nc1c(Br)cnc2c1ccn2COCC[Si](C)(C)C.
What is the InChIKey of 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is FZMJRSLTOIIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3OSi/c1-12(2)19-15-13-6-7-20(16(13)18-10-14(15)17)11-21-8-9-22(3,4)5/h6-7,10,12H,8-9,11H2,1-5H3,(H,18,19).
What are the key properties of 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine?
5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 384.39 g/mol, XLogP of 4.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 162477897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).