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

C17H23N3OSi — CID 58431353

IUPACtrimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cc[nH]c3)ccnc21
InChIInChI=1S/C17H23N3OSi/c1-22(2,3)11-10-21-13-20-9-6-16-15(5-8-19-17(16)20)14-4-7-18-12-14/h4-9,12,18H,10-11,13H2,1-3H3
InChIKeyPLQRWKZAAYOPDI-UHFFFAOYSA-N
MW313.48 g/mol
LogP4.34
Rot. Bonds6

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

trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 58431353) has the molecular formula C17H23N3OSi and a molecular weight of 313.48 g/mol. Its IUPAC name is trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID58431353
Molecular FormulaC17H23N3OSi
Molecular Weight313.48 g/mol
Exact Mass313.16
IUPAC Nametrimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cc[nH]c3)ccnc21
InChIInChI=1S/C17H23N3OSi/c1-22(2,3)11-10-21-13-20-9-6-16-15(5-8-19-17(16)20)14-4-7-18-12-14/h4-9,12,18H,10-11,13H2,1-3H3
InChIKeyPLQRWKZAAYOPDI-UHFFFAOYSA-N
XLogP4.34
TPSA42.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'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-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 58431353) is trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2c(-c3cc[nH]c3)ccnc21.
What is the InChIKey of trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is PLQRWKZAAYOPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OSi/c1-22(2,3)11-10-21-13-20-9-6-16-15(5-8-19-17(16)20)14-4-7-18-12-14/h4-9,12,18H,10-11,13H2,1-3H3.
What are the key properties of trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 313.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(1H-pyrrol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 58431353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).