2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C22H34FN7OSi — CID 67273823

IUPAC2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(CC(CF)N4CCNCC4)c3)ncnc21
InChIInChI=1S/C22H34FN7OSi/c1-32(2,3)11-10-31-17-29-7-4-20-21(25-16-26-22(20)29)18-13-27-30(14-18)15-19(12-23)28-8-5-24-6-9-28/h4,7,13-14,16,19,24H,5-6,8-12,15,17H2,1-3H3
InChIKeyOBONMDNSVLPISV-UHFFFAOYSA-N
MW459.65 g/mol
LogP2.85
Rot. Bonds10

About 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 67273823) has the molecular formula C22H34FN7OSi and a molecular weight of 459.65 g/mol. Its IUPAC name is 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID67273823
Molecular FormulaC22H34FN7OSi
Molecular Weight459.65 g/mol
Exact Mass459.26
IUPAC Name2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(CC(CF)N4CCNCC4)c3)ncnc21
InChIInChI=1S/C22H34FN7OSi/c1-32(2,3)11-10-31-17-29-7-4-20-21(25-16-26-22(20)29)18-13-27-30(14-18)15-19(12-23)28-8-5-24-6-9-28/h4,7,13-14,16,19,24H,5-6,8-12,15,17H2,1-3H3
InChIKeyOBONMDNSVLPISV-UHFFFAOYSA-N
XLogP2.85
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.65
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 67273823) is 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(CC(CF)N4CCNCC4)c3)ncnc21.
What is the InChIKey of 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OBONMDNSVLPISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34FN7OSi/c1-32(2,3)11-10-31-17-29-7-4-20-21(25-16-26-22(20)29)18-13-27-30(14-18)15-19(12-23)28-8-5-24-6-9-28/h4,7,13-14,16,19,24H,5-6,8-12,15,17H2,1-3H3.
What are the key properties of 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 459.65 g/mol, XLogP of 2.85, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(3-fluoro-2-piperazin-1-ylpropyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 67273823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).