trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C19H28N4OSSi — CID 67588725

IUPACtrimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C19H28N4OSSi/c1-5-7-25-16-9-17-18(15-10-21-22-11-15)13-23(19(17)20-12-16)14-24-6-8-26(2,3)4/h9-13H,5-8,14H2,1-4H3,(H,21,22)
InChIKeySHACXSLUIDKHHJ-UHFFFAOYSA-N
MW388.61 g/mol
LogP5.24
Rot. Bonds9

About trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 67588725) has the molecular formula C19H28N4OSSi and a molecular weight of 388.61 g/mol. Its IUPAC name is trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID67588725
Molecular FormulaC19H28N4OSSi
Molecular Weight388.61 g/mol
Exact Mass388.18
IUPAC Nametrimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2COCC[Si](C)(C)C
InChIInChI=1S/C19H28N4OSSi/c1-5-7-25-16-9-17-18(15-10-21-22-11-15)13-23(19(17)20-12-16)14-24-6-8-26(2,3)4/h9-13H,5-8,14H2,1-4H3,(H,21,22)
InChIKeySHACXSLUIDKHHJ-UHFFFAOYSA-N
XLogP5.24
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.61
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 67588725) is trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCSc1cnc2c(c1)c(-c1cn[nH]c1)cn2COCC[Si](C)(C)C.
What is the InChIKey of trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is SHACXSLUIDKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4OSSi/c1-5-7-25-16-9-17-18(15-10-21-22-11-15)13-23(19(17)20-12-16)14-24-6-8-26(2,3)4/h9-13H,5-8,14H2,1-4H3,(H,21,22).
What are the key properties of trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 388.61 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-propylsulfanyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 67588725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).