2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

C32H40Cl3IN8O2Si2 — CID 167589284

IUPAC2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21.Cn1cc2c(Cl)c(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)cnc34)ccc2n1
InChIInChI=1S/C20H23Cl2N5OSi.C12H17ClIN3OSi/c1-26-10-15-16(25-26)6-5-13(18(15)22)14-11-27(12-28-7-8-29(2,3)4)20-19(14)23-9-17(21)24-20;1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h5-6,9-11H,7-8,12H2,1-4H3;6-7H,4-5,8H2,1-3H3
InChIKeyIFEPCSVQSIYXSF-UHFFFAOYSA-N
MW858.16 g/mol
LogP9.61
Rot. Bonds11

About 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (PubChem CID 167589284) has the molecular formula C32H40Cl3IN8O2Si2 and a molecular weight of 858.16 g/mol. Its IUPAC name is 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
PubChem CID167589284
Molecular FormulaC32H40Cl3IN8O2Si2
Molecular Weight858.16 g/mol
Exact Mass856.09
IUPAC Name2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21.Cn1cc2c(Cl)c(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)cnc34)ccc2n1
InChIInChI=1S/C20H23Cl2N5OSi.C12H17ClIN3OSi/c1-26-10-15-16(25-26)6-5-13(18(15)22)14-11-27(12-28-7-8-29(2,3)4)20-19(14)23-9-17(21)24-20;1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h5-6,9-11H,7-8,12H2,1-4H3;6-7H,4-5,8H2,1-3H3
InChIKeyIFEPCSVQSIYXSF-UHFFFAOYSA-N
XLogP9.61
TPSA97.70 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.16
LogP ≤ 59.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
tert-butyl N-[(1R,5S)-8-[7-(4-chloro-2-methylindazol-5-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 156674008
tert-butyl N-[(3R,4S)-1-[7-(4-chloro-2-methylindazol-5-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-3-fluoropiperidin-4-yl]carbamate
CID 172719925
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
CID 175618816
1-[3-chloro-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]ethanone
CID 157393930
7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 157451268
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
tert-butyl N-[8-[7-[4-chloro-2-[2-(dimethylamino)-2-oxoethyl]indazol-5-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 175800402
tert-butyl (3S)-4-[5-(4-chloro-2-methylindazol-5-yl)-3-methyl-4-oxo-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylate
CID 166027150
3-chloro-7-iodo-5-(2-iodoethyl)pyrrolo[2,3-b]pyrazine
CID 90065082
[8-[7-(3,4-dichloro-2-methylindazol-5-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 175800374

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (CID 167589284) is 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21.Cn1cc2c(Cl)c(-c3cn(COCC[Si](C)(C)C)c4nc(Cl)cnc34)ccc2n1.
What is the InChIKey of 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is IFEPCSVQSIYXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N5OSi.C12H17ClIN3OSi/c1-26-10-15-16(25-26)6-5-13(18(15)22)14-11-27(12-28-7-8-29(2,3)4)20-19(14)23-9-17(21)24-20;1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h5-6,9-11H,7-8,12H2,1-4H3;6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 858.16 g/mol, XLogP of 9.61, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 167589284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).