dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

C18H26N2O6Si — CID 67112429

IUPACdimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]n2c(CO[Si](C)(C)C(C)(C)C)cc(=O)cc2c1C(=O)OC
InChIInChI=1S/C18H26N2O6Si/c1-18(2,3)27(6,7)26-10-11-8-12(21)9-13-14(16(22)24-4)15(17(23)25-5)19-20(11)13/h8-9,19H,10H2,1-7H3
InChIKeyLHTFAFHPTLKEML-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.72
Rot. Bonds5

About dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate

dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (PubChem CID 67112429) has the molecular formula C18H26N2O6Si and a molecular weight of 394.50 g/mol. Its IUPAC name is dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
PubChem CID67112429
Molecular FormulaC18H26N2O6Si
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Namedimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
SMILESCOC(=O)c1[nH]n2c(CO[Si](C)(C)C(C)(C)C)cc(=O)cc2c1C(=O)OC
InChIInChI=1S/C18H26N2O6Si/c1-18(2,3)27(6,7)26-10-11-8-12(21)9-13-14(16(22)24-4)15(17(23)25-5)19-20(11)13/h8-9,19H,10H2,1-7H3
InChIKeyLHTFAFHPTLKEML-UHFFFAOYSA-N
XLogP2.72
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The IUPAC name of dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate (CID 67112429) is dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The canonical SMILES for dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is COC(=O)c1[nH]n2c(CO[Si](C)(C)C(C)(C)C)cc(=O)cc2c1C(=O)OC.
What is the InChIKey of dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
The InChIKey is LHTFAFHPTLKEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6Si/c1-18(2,3)27(6,7)26-10-11-8-12(21)9-13-14(16(22)24-4)15(17(23)25-5)19-20(11)13/h8-9,19H,10H2,1-7H3.
What are the key properties of dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate?
dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate has a molecular weight of 394.50 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 7-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1H-pyrazolo[1,5-a]pyridine-2,3-dicarboxylate is sourced from PubChem (CID 67112429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).