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

C34H53BN6O8Si2 — CID 160822051

IUPACmethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C20H32BN3O5Si.C14H21N3O3Si/c1-19(2)20(3,4)29-21(28-19)14-11-15-16(18(25)26-5)23-24(17(15)22-12-14)13-27-9-10-30(6,7)8;1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4/h11-12H,9-10,13H2,1-8H3;5-7H,8-10H2,1-4H3
InChIKeySFRDSKKNPCMLNE-UHFFFAOYSA-N
MW740.82 g/mol
LogP5.36
Rot. Bonds13

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

methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 160822051) has the molecular formula C34H53BN6O8Si2 and a molecular weight of 740.82 g/mol. Its IUPAC name is methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID160822051
Molecular FormulaC34H53BN6O8Si2
Molecular Weight740.82 g/mol
Exact Mass740.36
IUPAC Namemethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12
InChIInChI=1S/C20H32BN3O5Si.C14H21N3O3Si/c1-19(2)20(3,4)29-21(28-19)14-11-15-16(18(25)26-5)23-24(17(15)22-12-14)13-27-9-10-30(6,7)8;1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4/h11-12H,9-10,13H2,1-8H3;5-7H,8-10H2,1-4H3
InChIKeySFRDSKKNPCMLNE-UHFFFAOYSA-N
XLogP5.36
TPSA150.94 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.82
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 160822051) is methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(COCC[Si](C)(C)C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc12.COC(=O)c1nn(COCC[Si](C)(C)C)c2ncccc12.
What is the InChIKey of methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is SFRDSKKNPCMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32BN3O5Si.C14H21N3O3Si/c1-19(2)20(3,4)29-21(28-19)14-11-15-16(18(25)26-5)23-24(17(15)22-12-14)13-27-9-10-30(6,7)8;1-19-14(18)12-11-6-5-7-15-13(11)17(16-12)10-20-8-9-21(2,3)4/h11-12H,9-10,13H2,1-8H3;5-7H,8-10H2,1-4H3.
What are the key properties of methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 740.82 g/mol, XLogP of 5.36, 13 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate;methyl 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 160822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).