7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine

C12H18BrClN4OSi — CID 169206863

IUPAC7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1nc2c(Br)cc(Cl)nc2c1N
InChIInChI=1S/C12H18BrClN4OSi/c1-20(2,3)5-4-19-7-18-12(15)11-10(17-18)8(13)6-9(14)16-11/h6H,4-5,7,15H2,1-3H3
InChIKeyLWGUFSFEMPQZAK-UHFFFAOYSA-N
MW377.75 g/mol
LogP3.74
Rot. Bonds5

About 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine

7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 169206863) has the molecular formula C12H18BrClN4OSi and a molecular weight of 377.75 g/mol. Its IUPAC name is 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound Name7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
PubChem CID169206863
Molecular FormulaC12H18BrClN4OSi
Molecular Weight377.75 g/mol
Exact Mass376.01
IUPAC Name7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine
SMILESC[Si](C)(C)CCOCn1nc2c(Br)cc(Cl)nc2c1N
InChIInChI=1S/C12H18BrClN4OSi/c1-20(2,3)5-4-19-7-18-12(15)11-10(17-18)8(13)6-9(14)16-11/h6H,4-5,7,15H2,1-3H3
InChIKeyLWGUFSFEMPQZAK-UHFFFAOYSA-N
XLogP3.74
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560
2-[(4-chloro-3-methylpyrazol-1-yl)methoxy]ethyl-trimethylsilane
CID 156901511
5-(2-amino-5-chlorophenyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 171757792
4-[4-amino-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]-6-chloro-2-(difluoromethyl)pyridin-3-amine
CID 171630055
2-[[3-bromo-5-(trifluoromethyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 177304121
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
2-[(7-bromopyrazolo[4,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 140869978
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine (CID 169206863) is 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine is C[Si](C)(C)CCOCn1nc2c(Br)cc(Cl)nc2c1N.
What is the InChIKey of 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is LWGUFSFEMPQZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrClN4OSi/c1-20(2,3)5-4-19-7-18-12(15)11-10(17-18)8(13)6-9(14)16-11/h6H,4-5,7,15H2,1-3H3.
What are the key properties of 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine?
7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 377.75 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 169206863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).