tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

C60H108N10O8Si4 — CID 159883811

About tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate

tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (PubChem CID 159883811) has the molecular formula C60H108N10O8Si4 and a molecular weight of 1209.93 g/mol. Its IUPAC name is tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• PubChem CID: 159883811
• Molecular Formula: C60H108N10O8Si4
• Molecular Weight: 1209.93 g/mol
• Exact Mass: 1208.74
• IUPAC Name: tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
• SMILES: C=Cc1c(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.CCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C
• InChI: InChI=1S/C30H55N5O4Si2.C30H53N5O4Si2/c2*1-11-25-27(24-13-12-16-33(21-24)29(36)39-30(2,3)4)32-26-14-15-31-35(26)28(25)34(22-37-17-19-40(5,6)7)23-38-18-20-41(8,9)10/h14-15,24H,11-13,16-23H2,1-10H3;11,14-15,24H,1,12-13,16-23H2,2-10H3
• InChIKey: NTWJHWODJHIADP-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 162.86 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1209.93
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate (CID 159883811) is tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is C=Cc1c(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.CCc1c(C2CCCN(C(=O)OC(C)(C)C)C2)nc2ccnn2c1N(COCC[Si](C)(C)C)COCC[Si](C)(C)C.

What is the InChIKey of tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

The InChIKey is NTWJHWODJHIADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N5O4Si2.C30H53N5O4Si2/c2*1-11-25-27(24-13-12-16-33(21-24)29(36)39-30(2,3)4)32-26-14-15-31-35(26)28(25)34(22-37-17-19-40(5,6)7)23-38-18-20-41(8,9)10/h14-15,24H,11-13,16-23H2,1-10H3;11,14-15,24H,1,12-13,16-23H2,2-10H3.

What are the key properties of tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate?

tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate has a molecular weight of 1209.93 g/mol, XLogP of 13.76, 26 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethenylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate;tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-ethylpyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 159883811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).