2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H24BrClN6OSi — CID 67002903

IUPAC2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3c(-n4cc(Br)cn4)c(Cl)cnc3n2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C20H24BrClN6OSi/c1-26-11-14(8-24-26)18-7-16-19(28-12-15(21)9-25-28)17(22)10-23-20(16)27(18)13-29-5-6-30(2,3)4/h7-12H,5-6,13H2,1-4H3
InChIKeyLYHZALIWWLKTMH-UHFFFAOYSA-N
MW507.90 g/mol
LogP5.35
Rot. Bonds7

About 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67002903) has the molecular formula C20H24BrClN6OSi and a molecular weight of 507.90 g/mol. Its IUPAC name is 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID67002903
Molecular FormulaC20H24BrClN6OSi
Molecular Weight507.90 g/mol
Exact Mass506.07
IUPAC Name2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCn1cc(-c2cc3c(-n4cc(Br)cn4)c(Cl)cnc3n2COCC[Si](C)(C)C)cn1
InChIInChI=1S/C20H24BrClN6OSi/c1-26-11-14(8-24-26)18-7-16-19(28-12-15(21)9-25-28)17(22)10-23-20(16)27(18)13-29-5-6-30(2,3)4/h7-12H,5-6,13H2,1-4H3
InChIKeyLYHZALIWWLKTMH-UHFFFAOYSA-N
XLogP5.35
TPSA62.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.90
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[(4-chloro-2-phenylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 58368344
ethyl 2-methyl-3-[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]oxybenzoate
CID 171635989
2-[(4-chloro-2-pyridin-3-ylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 21081676
6-methyl-8-(3-methyl-1,2-oxazol-5-yl)-2-(1-methylpyrazol-4-yl)-9-pyrrolidin-3-yl-3-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-f][1,7]naphthyridin-7-one
CID 162426646
2-[[5-bromo-2-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 174083889
4-fluoro-3-[[2-(1-methylpyrazol-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonyl]amino]benzoic acid
CID 170634931
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
4-bromopyridin-2-amine;[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]boronic acid;4-[4-chloro-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-2-yl]pyridin-2-amine
CID 159158544
2-[(4,6-dichloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 140923779
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
2-[(6-bromo-4-chloroindazol-1-yl)methoxy]ethyl-trimethylsilane
CID 177341411
[4-[4-[(4-propan-2-ylphenyl)methyl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
CID 171513229

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 67002903) is 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is Cn1cc(-c2cc3c(-n4cc(Br)cn4)c(Cl)cnc3n2COCC[Si](C)(C)C)cn1.
What is the InChIKey of 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is LYHZALIWWLKTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClN6OSi/c1-26-11-14(8-24-26)18-7-16-19(28-12-15(21)9-25-28)17(22)10-23-20(16)27(18)13-29-5-6-30(2,3)4/h7-12H,5-6,13H2,1-4H3.
What are the key properties of 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 507.90 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-bromopyrazol-1-yl)-5-chloro-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).