2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate

C80H108ClN17O15Si3 — CID 165011382

About 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate (PubChem CID 165011382) has the molecular formula C80H108ClN17O15Si3 and a molecular weight of 1667.56 g/mol. Its IUPAC name is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate.

Molecular Properties

• Compound Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate
• PubChem CID: 165011382
• Molecular Formula: C80H108ClN17O15Si3
• Molecular Weight: 1667.56 g/mol
• Exact Mass: 1665.72
• IUPAC Name: 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate
• SMILES: CCOC(=O)c1noc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1noc2c1CNCC21CC1.CCOC(=O)c1onc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CNCC21CC1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21
• InChI: InChI=1S/2C23H31N5O4Si.C12H18ClN3OSi.2C11H14N2O3/c1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)26-32-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)32-26-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)13-16-8;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)16-13-8/h2*6,9,14H,5,7-8,10-13,15H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;2*12H,2-6H2,1H3
• InChIKey: JTLLKUFOUYQVEZ-UHFFFAOYSA-N
• XLogP: 13.29
• TPSA: 359.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1667.56
LogP ≤ 5	13.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate?

The IUPAC name of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate (CID 165011382) is 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate.

What is the SMILES notation for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate?

The canonical SMILES for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate is CCOC(=O)c1noc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1noc2c1CNCC21CC1.CCOC(=O)c1onc2c1CN(c1ncnc3c1ccn3COCC[Si](C)(C)C)CC21CC1.CCOC(=O)c1onc2c1CNCC21CC1.C[Si](C)(C)CCOCn1ccc2c(Cl)ncnc21.

What is the InChIKey of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate?

The InChIKey is JTLLKUFOUYQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N5O4Si.C12H18ClN3OSi.2C11H14N2O3/c1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)26-32-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-5-31-22(29)18-17-12-28(13-23(7-8-23)19(17)32-26-18)21-16-6-9-27(20(16)24-14-25-21)15-30-10-11-33(2,3)4;1-18(2,3)7-6-17-9-16-5-4-10-11(13)14-8-15-12(10)16;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)13-16-8;1-2-15-10(14)8-7-5-12-6-11(3-4-11)9(7)16-13-8/h2*6,9,14H,5,7-8,10-13,15H2,1-4H3;4-5,8H,6-7,9H2,1-3H3;2*12H,2-6H2,1H3.

What are the key properties of 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate?

2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate has a molecular weight of 1667.56 g/mol, XLogP of 13.29, 25 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl spiro[5,6-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxylate;ethyl 5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,5-c]pyridine-7,1'-cyclopropane]-3-carboxylate is sourced from PubChem (CID 165011382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).