2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

C27H33FN8O2Si — CID 77172295

IUPAC2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CF)C4CCN(c5nc6cccnc6o5)C4)c3)ncnc21
InChIInChI=1S/C27H33FN8O2Si/c1-39(2,3)12-11-37-18-35-10-7-21-24(30-17-31-25(21)35)20-14-32-36(16-20)23(13-28)19-6-9-34(15-19)27-33-22-5-4-8-29-26(22)38-27/h4-5,7-8,10,14,16-17,19,23H,6,9,11-13,15,18H2,1-3H3
InChIKeyZBFMAAGENAYCME-UHFFFAOYSA-N
MW548.70 g/mol
LogP5.18
Rot. Bonds10

About 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane

2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (PubChem CID 77172295) has the molecular formula C27H33FN8O2Si and a molecular weight of 548.70 g/mol. Its IUPAC name is 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
PubChem CID77172295
Molecular FormulaC27H33FN8O2Si
Molecular Weight548.70 g/mol
Exact Mass548.25
IUPAC Name2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CF)C4CCN(c5nc6cccnc6o5)C4)c3)ncnc21
InChIInChI=1S/C27H33FN8O2Si/c1-39(2,3)12-11-37-18-35-10-7-21-24(30-17-31-25(21)35)20-14-32-36(16-20)23(13-28)19-6-9-34(15-19)27-33-22-5-4-8-29-26(22)38-27/h4-5,7-8,10,14,16-17,19,23H,6,9,11-13,15,18H2,1-3H3
InChIKeyZBFMAAGENAYCME-UHFFFAOYSA-N
XLogP5.18
TPSA99.92 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.70
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane (CID 77172295) is 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CF)C4CCN(c5nc6cccnc6o5)C4)c3)ncnc21.
What is the InChIKey of 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is ZBFMAAGENAYCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN8O2Si/c1-39(2,3)12-11-37-18-35-10-7-21-24(30-17-31-25(21)35)20-14-32-36(16-20)23(13-28)19-6-9-34(15-19)27-33-22-5-4-8-29-26(22)38-27/h4-5,7-8,10,14,16-17,19,23H,6,9,11-13,15,18H2,1-3H3.
What are the key properties of 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane?
2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 548.70 g/mol, XLogP of 5.18, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[2-fluoro-1-[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]ethyl]pyrazol-4-yl]pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 77172295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).