2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

C25H42N4O6Si — CID 66583384

IUPAC2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCOCCOC(=O)C1(OCCOC)CCC(c2cc(NCOCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C25H42N4O6Si/c1-31-12-14-34-24(30)25(35-15-13-32-2)9-6-20(7-10-25)21-18-23(29-22(28-21)8-11-27-29)26-19-33-16-17-36(3,4)5/h8,11,18,20,26H,6-7,9-10,12-17,19H2,1-5H3
InChIKeyNAVMULNUQYIPDL-UHFFFAOYSA-N
MW522.72 g/mol
LogP3.70
Rot. Bonds15

About 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate

2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (PubChem CID 66583384) has the molecular formula C25H42N4O6Si and a molecular weight of 522.72 g/mol. Its IUPAC name is 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
PubChem CID66583384
Molecular FormulaC25H42N4O6Si
Molecular Weight522.72 g/mol
Exact Mass522.29
IUPAC Name2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate
SMILESCOCCOC(=O)C1(OCCOC)CCC(c2cc(NCOCC[Si](C)(C)C)n3nccc3n2)CC1
InChIInChI=1S/C25H42N4O6Si/c1-31-12-14-34-24(30)25(35-15-13-32-2)9-6-20(7-10-25)21-18-23(29-22(28-21)8-11-27-29)26-19-33-16-17-36(3,4)5/h8,11,18,20,26H,6-7,9-10,12-17,19H2,1-5H3
InChIKeyNAVMULNUQYIPDL-UHFFFAOYSA-N
XLogP3.70
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.72
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The IUPAC name of 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate (CID 66583384) is 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is COCCOC(=O)C1(OCCOC)CCC(c2cc(NCOCC[Si](C)(C)C)n3nccc3n2)CC1.
What is the InChIKey of 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
The InChIKey is NAVMULNUQYIPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O6Si/c1-31-12-14-34-24(30)25(35-15-13-32-2)9-6-20(7-10-25)21-18-23(29-22(28-21)8-11-27-29)26-19-33-16-17-36(3,4)5/h8,11,18,20,26H,6-7,9-10,12-17,19H2,1-5H3.
What are the key properties of 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate?
2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate has a molecular weight of 522.72 g/mol, XLogP of 3.70, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 1-(2-methoxyethoxy)-4-[7-(2-trimethylsilylethoxymethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 66583384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).