2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C25H36N6OSi — CID 165156384

IUPAC2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccncn2)c2c(N3CC[C@]4(CCCCN4)C3)ccnc21
InChIInChI=1S/C25H36N6OSi/c1-33(2,3)15-14-32-19-31-16-20(21-6-11-26-18-28-21)23-22(7-12-27-24(23)31)30-13-9-25(17-30)8-4-5-10-29-25/h6-7,11-12,16,18,29H,4-5,8-10,13-15,17,19H2,1-3H3/t25-/m1/s1
InChIKeyDINPLKFTXGPYIU-RUZDIDTESA-N
MW464.69 g/mol
LogP4.53
Rot. Bonds7

About 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 165156384) has the molecular formula C25H36N6OSi and a molecular weight of 464.69 g/mol. Its IUPAC name is 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID165156384
Molecular FormulaC25H36N6OSi
Molecular Weight464.69 g/mol
Exact Mass464.27
IUPAC Name2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccncn2)c2c(N3CC[C@]4(CCCCN4)C3)ccnc21
InChIInChI=1S/C25H36N6OSi/c1-33(2,3)15-14-32-19-31-16-20(21-6-11-26-18-28-21)23-22(7-12-27-24(23)31)30-13-9-25(17-30)8-4-5-10-29-25/h6-7,11-12,16,18,29H,4-5,8-10,13-15,17,19H2,1-3H3/t25-/m1/s1
InChIKeyDINPLKFTXGPYIU-RUZDIDTESA-N
XLogP4.53
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.69
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 165156384) is 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccncn2)c2c(N3CC[C@]4(CCCCN4)C3)ccnc21.
What is the InChIKey of 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DINPLKFTXGPYIU-RUZDIDTESA-N. The full InChI is InChI=1S/C25H36N6OSi/c1-33(2,3)15-14-32-19-31-16-20(21-6-11-26-18-28-21)23-22(7-12-27-24(23)31)30-13-9-25(17-30)8-4-5-10-29-25/h6-7,11-12,16,18,29H,4-5,8-10,13-15,17,19H2,1-3H3/t25-/m1/s1.
What are the key properties of 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 464.69 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(5R)-2,6-diazaspiro[4.5]decan-2-yl]-3-pyrimidin-4-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 165156384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).