2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C12H17Br2N3OSi — CID 168933803

IUPAC2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)c2c(Br)ccnc21
InChIInChI=1S/C12H17Br2N3OSi/c1-19(2,3)7-6-18-8-17-12-10(11(14)16-17)9(13)4-5-15-12/h4-5H,6-8H2,1-3H3
InChIKeyFUFJWUMXQQJVHM-UHFFFAOYSA-N
MW407.18 g/mol
LogP4.27
Rot. Bonds5

About 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 168933803) has the molecular formula C12H17Br2N3OSi and a molecular weight of 407.18 g/mol. Its IUPAC name is 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID168933803
Molecular FormulaC12H17Br2N3OSi
Molecular Weight407.18 g/mol
Exact Mass404.95
IUPAC Name2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(Br)c2c(Br)ccnc21
InChIInChI=1S/C12H17Br2N3OSi/c1-19(2,3)7-6-18-8-17-12-10(11(14)16-17)9(13)4-5-15-12/h4-5H,6-8H2,1-3H3
InChIKeyFUFJWUMXQQJVHM-UHFFFAOYSA-N
XLogP4.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
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 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 168933803) is 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(Br)c2c(Br)ccnc21.
What is the InChIKey of 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is FUFJWUMXQQJVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br2N3OSi/c1-19(2,3)7-6-18-8-17-12-10(11(14)16-17)9(13)4-5-15-12/h4-5H,6-8H2,1-3H3.
What are the key properties of 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 407.18 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dibromopyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 168933803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).