ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

C25H35FN4O4Si — CID 151641092

IUPACethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3OCCO[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C25H35FN4O4Si/c1-8-32-24(31)20-16-27-30-12-11-22(29-23(20)30)28-17(2)19-15-18(26)9-10-21(19)33-13-14-34-35(6,7)25(3,4)5/h9-12,15-17H,8,13-14H2,1-7H3,(H,28,29)/t17-/m1/s1
InChIKeyQSNRTALMXYVFMK-QGZVFWFLSA-N
MW502.66 g/mol
LogP5.62
Rot. Bonds10

About ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 151641092) has the molecular formula C25H35FN4O4Si and a molecular weight of 502.66 g/mol. Its IUPAC name is ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID151641092
Molecular FormulaC25H35FN4O4Si
Molecular Weight502.66 g/mol
Exact Mass502.24
IUPAC Nameethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3OCCO[Si](C)(C)C(C)(C)C)nc12
InChIInChI=1S/C25H35FN4O4Si/c1-8-32-24(31)20-16-27-30-12-11-22(29-23(20)30)28-17(2)19-15-18(26)9-10-21(19)33-13-14-34-35(6,7)25(3,4)5/h9-12,15-17H,8,13-14H2,1-7H3,(H,28,29)/t17-/m1/s1
InChIKeyQSNRTALMXYVFMK-QGZVFWFLSA-N
XLogP5.62
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[[(1R)-1-[5-fluoro-2-[(2R)-2-hydroxypropoxy]phenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 152501893
5-N-[1-[2-(2-aminoethoxy)-5-fluorophenyl]ethyl]pyrazolo[1,5-a]pyrimidine-3,5-diamine;2,2,2-trifluoroacetic acid
CID 175921425
N-[1-(2-ethoxy-5-fluorophenyl)ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135605
ethyl 5-[[(1R)-1-[3,5-difluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]oxyphenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 134220512
2-[4-fluoro-2-[1-[(3-iodopyrazolo[1,5-a]pyrimidin-5-yl)amino]ethyl]phenoxy]ethanol
CID 163625527
ethyl 5-[1-[(2S)-7-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2,3-dihydro-1,4-benzodioxin-5-yl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155724477
ethyl 5-[[(1R)-1-[(2R)-2-(azidomethyl)-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 164829826
N-[1-(5-fluoro-2-propoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 155135409
ethyl 5-[[5-fluoro-2-[(2R)-2-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenyl]methylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;fluoromethane
CID 145224721
5-[[(1R)-1-[2-(difluoromethoxy)-5-fluorophenyl]ethyl]amino]-N'-hydroxypyrazolo[1,5-a]pyrimidine-3-carboximidamide
CID 155279094
N-[1-[2-(2,2-difluoroethoxy)-5-fluorophenyl]ethyl]-3-iodopyrazolo[1,5-a]pyrimidin-5-amine
CID 155135728
ethyl 5-[1-[2-(azidomethyl)-5-fluoro-2-(fluoromethyl)-3H-1-benzofuran-7-yl]ethylamino]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 155318854

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 151641092) is ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3OCCO[Si](C)(C)C(C)(C)C)nc12.
What is the InChIKey of ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is QSNRTALMXYVFMK-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H35FN4O4Si/c1-8-32-24(31)20-16-27-30-12-11-22(29-23(20)30)28-17(2)19-15-18(26)9-10-21(19)33-13-14-34-35(6,7)25(3,4)5/h9-12,15-17H,8,13-14H2,1-7H3,(H,28,29)/t17-/m1/s1.
What are the key properties of ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 502.66 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[(1R)-1-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-fluorophenyl]ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 151641092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).