2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide

C24H28F4N4O4Si — CID 171099026

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)c1ccc(F)cc1)n1cc2ccn(C(F)(F)F)c2nc1=O
InChIInChI=1S/C24H28F4N4O4Si/c1-14(36-37(5,6)23(2,3)4)21(34)29-20(18(33)15-7-9-17(25)10-8-15)31-13-16-11-12-32(24(26,27)28)19(16)30-22(31)35/h7-14,20H,1-6H3,(H,29,34)
InChIKeyCLQYXYSRQIAUHZ-UHFFFAOYSA-N
MW540.59 g/mol
LogP4.72
Rot. Bonds7

About 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide

2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide (PubChem CID 171099026) has the molecular formula C24H28F4N4O4Si and a molecular weight of 540.59 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide
PubChem CID171099026
Molecular FormulaC24H28F4N4O4Si
Molecular Weight540.59 g/mol
Exact Mass540.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide
SMILESCC(O[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)c1ccc(F)cc1)n1cc2ccn(C(F)(F)F)c2nc1=O
InChIInChI=1S/C24H28F4N4O4Si/c1-14(36-37(5,6)23(2,3)4)21(34)29-20(18(33)15-7-9-17(25)10-8-15)31-13-16-11-12-32(24(26,27)28)19(16)30-22(31)35/h7-14,20H,1-6H3,(H,29,34)
InChIKeyCLQYXYSRQIAUHZ-UHFFFAOYSA-N
XLogP4.72
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.59
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide (CID 171099026) is 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide is CC(O[Si](C)(C)C(C)(C)C)C(=O)NC(C(=O)c1ccc(F)cc1)n1cc2ccn(C(F)(F)F)c2nc1=O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide?
The InChIKey is CLQYXYSRQIAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N4O4Si/c1-14(36-37(5,6)23(2,3)4)21(34)29-20(18(33)15-7-9-17(25)10-8-15)31-13-16-11-12-32(24(26,27)28)19(16)30-22(31)35/h7-14,20H,1-6H3,(H,29,34).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide has a molecular weight of 540.59 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-[2-(4-fluorophenyl)-2-oxo-1-[2-oxo-7-(trifluoromethyl)pyrrolo[2,3-d]pyrimidin-3-yl]ethyl]propanamide is sourced from PubChem (CID 171099026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).