trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C20H30N4OSSi — CID 59128681

IUPACtrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCSc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C20H30N4OSSi/c1-6-8-26-17-10-18-19(16-11-22-23(2)13-16)14-24(20(18)21-12-17)15-25-7-9-27(3,4)5/h10-14H,6-9,15H2,1-5H3
InChIKeyWHKRIUMWKMGUFY-UHFFFAOYSA-N
MW402.64 g/mol
LogP5.25
Rot. Bonds9

About trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 59128681) has the molecular formula C20H30N4OSSi and a molecular weight of 402.64 g/mol. Its IUPAC name is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID59128681
Molecular FormulaC20H30N4OSSi
Molecular Weight402.64 g/mol
Exact Mass402.19
IUPAC Nametrimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCSc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C20H30N4OSSi/c1-6-8-26-17-10-18-19(16-11-22-23(2)13-16)14-24(20(18)21-12-17)15-25-7-9-27(3,4)5/h10-14H,6-9,15H2,1-5H3
InChIKeyWHKRIUMWKMGUFY-UHFFFAOYSA-N
XLogP5.25
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.64
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 59128681) is trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCSc1cnc2c(c1)c(-c1cnn(C)c1)cn2COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is WHKRIUMWKMGUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4OSSi/c1-6-8-26-17-10-18-19(16-11-22-23(2)13-16)14-24(20(18)21-12-17)15-25-7-9-27(3,4)5/h10-14H,6-9,15H2,1-5H3.
What are the key properties of trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 402.64 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(1-methylpyrazol-4-yl)-5-propylsulfanylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 59128681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).