2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C15H22BrN3OSi — CID 71562636

IUPAC2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)c2cc(Br)cnc21
InChIInChI=1S/C15H22BrN3OSi/c1-21(2,3)7-6-20-10-19-15-13(8-12(16)9-17-15)14(18-19)11-4-5-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyVZVNSJAWJAXJHX-UHFFFAOYSA-N
MW368.35 g/mol
LogP4.38
Rot. Bonds6

About 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 71562636) has the molecular formula C15H22BrN3OSi and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID71562636
Molecular FormulaC15H22BrN3OSi
Molecular Weight368.35 g/mol
Exact Mass367.07
IUPAC Name2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1nc(C2CC2)c2cc(Br)cnc21
InChIInChI=1S/C15H22BrN3OSi/c1-21(2,3)7-6-20-10-19-15-13(8-12(16)9-17-15)14(18-19)11-4-5-11/h8-9,11H,4-7,10H2,1-3H3
InChIKeyVZVNSJAWJAXJHX-UHFFFAOYSA-N
XLogP4.38
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.38
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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Related Compounds

4-(5-bromo-3-pyridyl)-1-ethyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 11667299
5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
CID 164610774
3-Bromo-2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 1489139
5-bromo-1-ethyl-1H-pyrazolo(3,4-b)pyridine
CID 24693616
5-bromo-1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine
CID 24708403
2-{5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl}ethan-1-ol
CID 24705006
7-(4-Bromophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3536142
5-bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazolo[3,4-b]pyridine
CID 58378064
4-{1-[1-(3-bromophenyl)-4,4-difluorobut-3-en-1-yl]-1H-pyrazol-4-yl}-7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidine
CID 57478004
2-[[5-Bromo-4-chloro-3-(2-fluorophenyl)pyrazolo[3,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 57537651
5-Bromo-1-methyl-3-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 84715042
6-bromo-3-phenyl-4-(trifluoromethyl)-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazolo[3,4-b]pyridine
CID 89618789

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 71562636) is 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(C2CC2)c2cc(Br)cnc21.
What is the InChIKey of 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is VZVNSJAWJAXJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3OSi/c1-21(2,3)7-6-20-10-19-15-13(8-12(16)9-17-15)14(18-19)11-4-5-11/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 368.35 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 71562636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).