2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C24H33F2N5OSi — CID 57478038

IUPAC2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC=C(F)F)C4CCCC4)c3)ncnc21
InChIInChI=1S/C24H33F2N5OSi/c1-33(2,3)13-12-32-17-30-11-10-20-23(27-16-28-24(20)30)19-14-29-31(15-19)21(8-9-22(25)26)18-6-4-5-7-18/h9-11,14-16,18,21H,4-8,12-13,17H2,1-3H3
InChIKeyHELBEJWYTFYUOX-UHFFFAOYSA-N
MW473.64 g/mol
LogP6.51
Rot. Bonds10

About 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 57478038) has the molecular formula C24H33F2N5OSi and a molecular weight of 473.64 g/mol. Its IUPAC name is 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID57478038
Molecular FormulaC24H33F2N5OSi
Molecular Weight473.64 g/mol
Exact Mass473.24
IUPAC Name2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC=C(F)F)C4CCCC4)c3)ncnc21
InChIInChI=1S/C24H33F2N5OSi/c1-33(2,3)13-12-32-17-30-11-10-20-23(27-16-28-24(20)30)19-14-29-31(15-19)21(8-9-22(25)26)18-6-4-5-7-18/h9-11,14-16,18,21H,4-8,12-13,17H2,1-3H3
InChIKeyHELBEJWYTFYUOX-UHFFFAOYSA-N
XLogP6.51
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 57478038) is 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC=C(F)F)C4CCCC4)c3)ncnc21.
What is the InChIKey of 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is HELBEJWYTFYUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33F2N5OSi/c1-33(2,3)13-12-32-17-30-11-10-20-23(27-16-28-24(20)30)19-14-29-31(15-19)21(8-9-22(25)26)18-6-4-5-7-18/h9-11,14-16,18,21H,4-8,12-13,17H2,1-3H3.
What are the key properties of 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 473.64 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-(1-cyclopentyl-4,4-difluorobut-3-enyl)pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 57478038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).