2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C27H39N3O2Si — CID 152586892

IUPAC2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC(C)(COc2ccnc3c2c(-c2ccccc2)cn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C27H39N3O2Si/c1-27(12-15-29(2)16-13-27)20-32-24-11-14-28-26-25(24)23(22-9-7-6-8-10-22)19-30(26)21-31-17-18-33(3,4)5/h6-11,14,19H,12-13,15-18,20-21H2,1-5H3
InChIKeyYUQOMXUAOPEVNM-UHFFFAOYSA-N
MW465.71 g/mol
LogP6.13
Rot. Bonds9

About 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 152586892) has the molecular formula C27H39N3O2Si and a molecular weight of 465.71 g/mol. Its IUPAC name is 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID152586892
Molecular FormulaC27H39N3O2Si
Molecular Weight465.71 g/mol
Exact Mass465.28
IUPAC Name2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC(C)(COc2ccnc3c2c(-c2ccccc2)cn3COCC[Si](C)(C)C)CC1
InChIInChI=1S/C27H39N3O2Si/c1-27(12-15-29(2)16-13-27)20-32-24-11-14-28-26-25(24)23(22-9-7-6-8-10-22)19-30(26)21-31-17-18-33(3,4)5/h6-11,14,19H,12-13,15-18,20-21H2,1-5H3
InChIKeyYUQOMXUAOPEVNM-UHFFFAOYSA-N
XLogP6.13
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.71
LogP ≤ 56.13
H-Bond Donors ≤ 50
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 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 152586892) is 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CN1CCC(C)(COc2ccnc3c2c(-c2ccccc2)cn3COCC[Si](C)(C)C)CC1.
What is the InChIKey of 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YUQOMXUAOPEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2Si/c1-27(12-15-29(2)16-13-27)20-32-24-11-14-28-26-25(24)23(22-9-7-6-8-10-22)19-30(26)21-31-17-18-33(3,4)5/h6-11,14,19H,12-13,15-18,20-21H2,1-5H3.
What are the key properties of 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 465.71 g/mol, XLogP of 6.13, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1,4-dimethylpiperidin-4-yl)methoxy]-3-phenylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 152586892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).