2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C24H26F2N4O2Si — CID 140891211

IUPAC2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21
InChIInChI=1S/C24H26F2N4O2Si/c1-33(2,3)15-14-31-16-30-13-12-18-23(30)28-22(20-11-7-10-19(27-20)21(25)26)29-24(18)32-17-8-5-4-6-9-17/h4-13,21H,14-16H2,1-3H3
InChIKeyXLQRDVGGUNOQRQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP6.54
Rot. Bonds9

About 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140891211) has the molecular formula C24H26F2N4O2Si and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID140891211
Molecular FormulaC24H26F2N4O2Si
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21
InChIInChI=1S/C24H26F2N4O2Si/c1-33(2,3)15-14-31-16-30-13-12-18-23(30)28-22(20-11-7-10-19(27-20)21(25)26)29-24(18)32-17-8-5-4-6-9-17/h4-13,21H,14-16H2,1-3H3
InChIKeyXLQRDVGGUNOQRQ-UHFFFAOYSA-N
XLogP6.54
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 140891211) is 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(Oc3ccccc3)nc(-c3cccc(C(F)F)n3)nc21.
What is the InChIKey of 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is XLQRDVGGUNOQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O2Si/c1-33(2,3)15-14-31-16-30-13-12-18-23(30)28-22(20-11-7-10-19(27-20)21(25)26)29-24(18)32-17-8-5-4-6-9-17/h4-13,21H,14-16H2,1-3H3.
What are the key properties of 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 468.58 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[6-(difluoromethyl)-2-pyridinyl]-4-phenoxypyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140891211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).