3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

C22H30FN7OSi — CID 66820909

IUPAC3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4(F)CCNC4)c3)ncnc21
InChIInChI=1S/C22H30FN7OSi/c1-32(2,3)11-10-31-16-29-9-5-18-20(26-15-27-21(18)29)17-12-28-30(13-17)19(4-7-24)22(23)6-8-25-14-22/h5,9,12-13,15,19,25H,4,6,8,10-11,14,16H2,1-3H3
InChIKeyJUWLVOUYRRRKNQ-UHFFFAOYSA-N
MW455.61 g/mol
LogP3.76
Rot. Bonds9

About 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile

3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (PubChem CID 66820909) has the molecular formula C22H30FN7OSi and a molecular weight of 455.61 g/mol. Its IUPAC name is 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
PubChem CID66820909
Molecular FormulaC22H30FN7OSi
Molecular Weight455.61 g/mol
Exact Mass455.23
IUPAC Name3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4(F)CCNC4)c3)ncnc21
InChIInChI=1S/C22H30FN7OSi/c1-32(2,3)11-10-31-16-29-9-5-18-20(26-15-27-21(18)29)17-12-28-30(13-17)19(4-7-24)22(23)6-8-25-14-22/h5,9,12-13,15,19,25H,4,6,8,10-11,14,16H2,1-3H3
InChIKeyJUWLVOUYRRRKNQ-UHFFFAOYSA-N
XLogP3.76
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.61
LogP ≤ 53.76
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'}

Analyze 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile (CID 66820909) is 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4(F)CCNC4)c3)ncnc21.
What is the InChIKey of 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is JUWLVOUYRRRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN7OSi/c1-32(2,3)11-10-31-16-29-9-5-18-20(26-15-27-21(18)29)17-12-28-30(13-17)19(4-7-24)22(23)6-8-25-14-22/h5,9,12-13,15,19,25H,4,6,8,10-11,14,16H2,1-3H3.
What are the key properties of 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile?
3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 455.61 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropyrrolidin-3-yl)-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 66820909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).