ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H32N4O4Si — CID 174089462

IUPACethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCO[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc12
InChIInChI=1S/C20H32N4O4Si/c1-7-26-19(25)16-12-21-24-9-8-17(22-18(16)24)23-10-11-27-15(13-23)14-28-29(5,6)20(2,3)4/h8-9,12,15H,7,10-11,13-14H2,1-6H3/t15-/m1/s1
InChIKeySSQNTBOJGSTNFS-OAHLLOKOSA-N
MW420.59 g/mol
LogP3.13
Rot. Bonds6

About ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 174089462) has the molecular formula C20H32N4O4Si and a molecular weight of 420.59 g/mol. Its IUPAC name is ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID174089462
Molecular FormulaC20H32N4O4Si
Molecular Weight420.59 g/mol
Exact Mass420.22
IUPAC Nameethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N3CCO[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc12
InChIInChI=1S/C20H32N4O4Si/c1-7-26-19(25)16-12-21-24-9-8-17(22-18(16)24)23-10-11-27-15(13-23)14-28-29(5,6)20(2,3)4/h8-9,12,15H,7,10-11,13-14H2,1-6H3/t15-/m1/s1
InChIKeySSQNTBOJGSTNFS-OAHLLOKOSA-N
XLogP3.13
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
ethyl 5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 122672896
ethyl 5-[4-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 77197107
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
tert-butyl 6-[2-(methoxymethyl)morpholin-4-yl]pyridine-2-carboxylate
CID 122131711
1-[5-(2,2-difluoromorpholin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 170379491
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
5-(2,2-dimethylmorpholin-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175938470
ethyl 5-[3-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]-1,2-oxazolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 158306054
ethyl 5-[2-[(Z)-1-amino-2-[amino-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]ethenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589596
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
ethyl 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664567

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 174089462) is ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N3CCO[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc12.
What is the InChIKey of ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is SSQNTBOJGSTNFS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H32N4O4Si/c1-7-26-19(25)16-12-21-24-9-8-17(22-18(16)24)23-10-11-27-15(13-23)14-28-29(5,6)20(2,3)4/h8-9,12,15H,7,10-11,13-14H2,1-6H3/t15-/m1/s1.
What are the key properties of ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 420.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]morpholin-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 174089462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).