methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate

C22H28N6O5Si — CID 158142665

IUPACmethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C14H21N3O3Si.C8H7N3O2/c1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4;1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h5-7H,8-10H2,1-4H3;2-4H,1H3,(H,9,10,11)
InChIKeyFUDAWOZEUIAVGR-UHFFFAOYSA-N
MW484.59 g/mol
LogP3.27
Rot. Bonds7

About methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate

methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 158142665) has the molecular formula C22H28N6O5Si and a molecular weight of 484.59 g/mol. Its IUPAC name is methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID158142665
Molecular FormulaC22H28N6O5Si
Molecular Weight484.59 g/mol
Exact Mass484.19
IUPAC Namemethyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1[nH]nc2ncccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C14H21N3O3Si.C8H7N3O2/c1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4;1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h5-7H,8-10H2,1-4H3;2-4H,1H3,(H,9,10,11)
InChIKeyFUDAWOZEUIAVGR-UHFFFAOYSA-N
XLogP3.27
TPSA134.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.59
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Ethyl 3-methyl-6-phenyl-1-pyridin-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 5114916
methyl 4-(oxan-4-ylamino)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 66828915
3-Ethoxycarbonyl-1-(2-fluorbenzyl)-1H-pyrazolo-(3,4,5)-pyridin
CID 11162345
methyl 1H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 52911269
ethyl 5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo(3,4-b)pyridine-3-carboxylate
CID 56849011
Ethyl 1,3-dimethyl-6-pyridin-4-ylpyrazolo[3,4-b]pyridine-4-carboxylate
CID 2997652
6-(1H-pyrazol-4-yl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71601062
Ethyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylate
CID 71601939
Ethyl 6-amino-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
CID 118732285
Methyl 1H-pyrazolo(3,4-b)pyridine-6-carboxylate
CID 92135507
Ethyl 1,3-dimethyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 3537430
ethyl 4-[6-oxo-1-(pyridin-3-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]-1H-pyrazole-5-carboxylate
CID 136060349

Frequently Asked Questions

What is the IUPAC name of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 158142665) is methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1[nH]nc2ncccc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12.
What is the InChIKey of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is FUDAWOZEUIAVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3Si.C8H7N3O2/c1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4;1-13-8(12)6-5-3-2-4-9-7(5)11-10-6/h5-7H,8-10H2,1-4H3;2-4H,1H3,(H,9,10,11).
What are the key properties of methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 484.59 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-pyrazolo[3,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 158142665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).