tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

C22H37N3O4Si — CID 131748472

IUPACtert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(C3=CC(O)CC3)nn2COCC[Si](C)(C)C)C1
InChIInChI=1S/C22H37N3O4Si/c1-22(2,3)29-21(27)24-10-9-19-18(14-24)20(16-7-8-17(26)13-16)23-25(19)15-28-11-12-30(4,5)6/h13,17,26H,7-12,14-15H2,1-6H3
InChIKeyQNTGIBOBWQRGFB-UHFFFAOYSA-N
MW435.64 g/mol
LogP4.03
Rot. Bonds6

About tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 131748472) has the molecular formula C22H37N3O4Si and a molecular weight of 435.64 g/mol. Its IUPAC name is tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID131748472
Molecular FormulaC22H37N3O4Si
Molecular Weight435.64 g/mol
Exact Mass435.26
IUPAC Nametert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(c(C3=CC(O)CC3)nn2COCC[Si](C)(C)C)C1
InChIInChI=1S/C22H37N3O4Si/c1-22(2,3)29-21(27)24-10-9-19-18(14-24)20(16-7-8-17(26)13-16)23-25(19)15-28-11-12-30(4,5)6/h13,17,26H,7-12,14-15H2,1-6H3
InChIKeyQNTGIBOBWQRGFB-UHFFFAOYSA-N
XLogP4.03
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.64
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (5R,12R)-14-fluoro-12-hydroxy-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene-4-carboxylate
CID 155341320
tert-butyl (5R)-14-fluoro-12-hydroxy-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene-4-carboxylate
CID 155341321
Tert-butyl 14-fluoro-12-hydroxy-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene-4-carboxylate
CID 155341631
tert-butyl (5R,12S)-14-fluoro-12-hydroxy-5-methyl-4,8,9-triazatricyclo[7.5.0.02,7]tetradeca-1,7,13-triene-4-carboxylate
CID 162767627
tert-butyl 3-(3-hydroxycyclopentyl)-1-(2-trimethylsilylethoxy methyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 131748474
tert-butyl 3-(3-methoxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 173792881

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate (CID 131748472) is tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2c(c(C3=CC(O)CC3)nn2COCC[Si](C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is QNTGIBOBWQRGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O4Si/c1-22(2,3)29-21(27)24-10-9-19-18(14-24)20(16-7-8-17(26)13-16)23-25(19)15-28-11-12-30(4,5)6/h13,17,26H,7-12,14-15H2,1-6H3.
What are the key properties of tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 435.64 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-hydroxycyclopenten-1-yl)-1-(2-trimethylsilylethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 131748472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).