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

C21H32N4OSi — CID 57477683

IUPACtrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C21H32N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3
InChIKeySMRLSKVLVJMBRF-UHFFFAOYSA-N
MW384.60 g/mol
LogP5.57
Rot. Bonds9

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

trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 57477683) has the molecular formula C21H32N4OSi and a molecular weight of 384.60 g/mol. Its IUPAC name is trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID57477683
Molecular FormulaC21H32N4OSi
Molecular Weight384.60 g/mol
Exact Mass384.23
IUPAC Nametrimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1
InChIInChI=1S/C21H32N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3
InChIKeySMRLSKVLVJMBRF-UHFFFAOYSA-N
XLogP5.57
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.60
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 57477683) is trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is CCCC(C)n1cc(-c2ccnc3c2ccn3COCC[Si](C)(C)C)cn1.
What is the InChIKey of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is SMRLSKVLVJMBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4OSi/c1-6-7-17(2)25-15-18(14-23-25)19-8-10-22-21-20(19)9-11-24(21)16-26-12-13-27(3,4)5/h8-11,14-15,17H,6-7,12-13,16H2,1-5H3.
What are the key properties of trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 384.60 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[4-(1-pentan-2-ylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 57477683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).