1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine

C14H20BN3O2 — CID 141489394

IUPAC1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine
SMILESCc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)cnc12
InChIInChI=1S/C14H20BN3O2/c1-9-12-11(18(6)17-9)7-10(8-16-12)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChIKeyIHQUMFLAMSIDRL-UHFFFAOYSA-N
MW273.14 g/mol
LogP1.58
Rot. Bonds1

About 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine

1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine (PubChem CID 141489394) has the molecular formula C14H20BN3O2 and a molecular weight of 273.14 g/mol. Its IUPAC name is 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine
PubChem CID141489394
Molecular FormulaC14H20BN3O2
Molecular Weight273.14 g/mol
Exact Mass273.16
IUPAC Name1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine
SMILESCc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)cnc12
InChIInChI=1S/C14H20BN3O2/c1-9-12-11(18(6)17-9)7-10(8-16-12)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3
InChIKeyIHQUMFLAMSIDRL-UHFFFAOYSA-N
XLogP1.58
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine (CID 141489394) is 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine is Cc1nn(C)c2cc(B3OC(C)(C)C(C)(C)O3)cnc12.
What is the InChIKey of 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine?
The InChIKey is IHQUMFLAMSIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BN3O2/c1-9-12-11(18(6)17-9)7-10(8-16-12)15-19-13(2,3)14(4,5)20-15/h7-8H,1-6H3.
What are the key properties of 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine?
1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine has a molecular weight of 273.14 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 141489394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).