3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine

C16H24BrF2N3O2Si — CID 156717951

IUPAC3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine
SMILESC[Si](C)(C)CCOCn1ccc2cc(Br)c(OC(F)(F)CCN)nc21
InChIInChI=1S/C16H24BrF2N3O2Si/c1-25(2,3)9-8-23-11-22-7-4-12-10-13(17)15(21-14(12)22)24-16(18,19)5-6-20/h4,7,10H,5-6,8-9,11,20H2,1-3H3
InChIKeyZBAUXJQQUZGOSX-UHFFFAOYSA-N
MW436.37 g/mol
LogP4.43
Rot. Bonds9

About 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine

3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine (PubChem CID 156717951) has the molecular formula C16H24BrF2N3O2Si and a molecular weight of 436.37 g/mol. Its IUPAC name is 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine.

Molecular Properties

Compound Name3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine
PubChem CID156717951
Molecular FormulaC16H24BrF2N3O2Si
Molecular Weight436.37 g/mol
Exact Mass435.08
IUPAC Name3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine
SMILESC[Si](C)(C)CCOCn1ccc2cc(Br)c(OC(F)(F)CCN)nc21
InChIInChI=1S/C16H24BrF2N3O2Si/c1-25(2,3)9-8-23-11-22-7-4-12-10-13(17)15(21-14(12)22)24-16(18,19)5-6-20/h4,7,10H,5-6,8-9,11,20H2,1-3H3
InChIKeyZBAUXJQQUZGOSX-UHFFFAOYSA-N
XLogP4.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.37
LogP ≤ 54.43
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'}

Analyze 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine?
The IUPAC name of 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine (CID 156717951) is 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine.
What is the SMILES notation for 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine?
The canonical SMILES for 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine is C[Si](C)(C)CCOCn1ccc2cc(Br)c(OC(F)(F)CCN)nc21.
What is the InChIKey of 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine?
The InChIKey is ZBAUXJQQUZGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF2N3O2Si/c1-25(2,3)9-8-23-11-22-7-4-12-10-13(17)15(21-14(12)22)24-16(18,19)5-6-20/h4,7,10H,5-6,8-9,11,20H2,1-3H3.
What are the key properties of 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine?
3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine has a molecular weight of 436.37 g/mol, XLogP of 4.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]oxy-3,3-difluoropropan-1-amine is sourced from PubChem (CID 156717951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).