2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C17H26N2O2Si — CID 172608788

IUPAC2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncc(C2CC2)c2ccn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H26N2O2Si/c1-20-17-16-14(15(11-18-17)13-5-6-13)7-8-19(16)12-21-9-10-22(2,3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyALRBBUAGGYNDGN-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.23
Rot. Bonds7

About 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 172608788) has the molecular formula C17H26N2O2Si and a molecular weight of 318.49 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID172608788
Molecular FormulaC17H26N2O2Si
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncc(C2CC2)c2ccn(COCC[Si](C)(C)C)c12
InChIInChI=1S/C17H26N2O2Si/c1-20-17-16-14(15(11-18-17)13-5-6-13)7-8-19(16)12-21-9-10-22(2,3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyALRBBUAGGYNDGN-UHFFFAOYSA-N
XLogP4.23
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 172608788) is 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is COc1ncc(C2CC2)c2ccn(COCC[Si](C)(C)C)c12.
What is the InChIKey of 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ALRBBUAGGYNDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2Si/c1-20-17-16-14(15(11-18-17)13-5-6-13)7-8-19(16)12-21-9-10-22(2,3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3.
What are the key properties of 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 318.49 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-7-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 172608788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).