tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

C19H35N3O4Si — CID 150358551

IUPACtert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(cnn2CCO[Si](C)(C)C(C)(C)C)C(O)C1
InChIInChI=1S/C19H35N3O4Si/c1-18(2,3)26-17(24)21-12-15-14(16(23)13-21)11-20-22(15)9-10-25-27(7,8)19(4,5)6/h11,16,23H,9-10,12-13H2,1-8H3
InChIKeyGVFXQWVQNDXEEL-UHFFFAOYSA-N
MW397.59 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 150358551) has the molecular formula C19H35N3O4Si and a molecular weight of 397.59 g/mol. Its IUPAC name is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID150358551
Molecular FormulaC19H35N3O4Si
Molecular Weight397.59 g/mol
Exact Mass397.24
IUPAC Nametert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(cnn2CCO[Si](C)(C)C(C)(C)C)C(O)C1
InChIInChI=1S/C19H35N3O4Si/c1-18(2,3)26-17(24)21-12-15-14(16(23)13-21)11-20-22(15)9-10-25-27(7,8)19(4,5)6/h11,16,23H,9-10,12-13H2,1-8H3
InChIKeyGVFXQWVQNDXEEL-UHFFFAOYSA-N
XLogP3.69
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 87627206
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,5,6,7-tetrahydroindazol-4-ol
CID 59747913
tert-butyl 4-hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68927757
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-methylpiperazine-1-carboxylate
CID 58007307
tert-butyl (4R)-4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 95735407
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 53253789
tert-butyl 7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,7-diazaspiro[3.4]octane-2-carboxylate
CID 156832842
tert-butyl 5-[5-bromo-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]imidazol-2-yl]-1,3-dihydroisoindole-2-carboxylate
CID 178141953
tert-butyl (3S,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 91034299
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
CID 166071441
tert-butyl (3R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluoropiperidine-1-carboxylate
CID 175554462

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (CID 150358551) is tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1Cc2c(cnn2CCO[Si](C)(C)C(C)(C)C)C(O)C1.
What is the InChIKey of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is GVFXQWVQNDXEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4Si/c1-18(2,3)26-17(24)21-12-15-14(16(23)13-21)11-20-22(15)9-10-25-27(7,8)19(4,5)6/h11,16,23H,9-10,12-13H2,1-8H3.
What are the key properties of tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 397.59 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 150358551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).