6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

C15H21BN2O2 — CID 155858898

IUPAC6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc2c(B3OC(C)(C)C(C)(C)O3)cnn2c1C
InChIInChI=1S/C15H21BN2O2/c1-10-7-8-13-12(9-17-18(13)11(10)2)16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3
InChIKeyYEQXOGODWGTOEB-UHFFFAOYSA-N
MW272.16 g/mol
LogP2.25
Rot. Bonds1

About 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine

6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (PubChem CID 155858898) has the molecular formula C15H21BN2O2 and a molecular weight of 272.16 g/mol. Its IUPAC name is 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
PubChem CID155858898
Molecular FormulaC15H21BN2O2
Molecular Weight272.16 g/mol
Exact Mass272.17
IUPAC Name6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
SMILESCc1ccc2c(B3OC(C)(C)C(C)(C)O3)cnn2c1C
InChIInChI=1S/C15H21BN2O2/c1-10-7-8-13-12(9-17-18(13)11(10)2)16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3
InChIKeyYEQXOGODWGTOEB-UHFFFAOYSA-N
XLogP2.25
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine (CID 155858898) is 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is Cc1ccc2c(B3OC(C)(C)C(C)(C)O3)cnn2c1C.
What is the InChIKey of 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is YEQXOGODWGTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BN2O2/c1-10-7-8-13-12(9-17-18(13)11(10)2)16-19-14(3,4)15(5,6)20-16/h7-9H,1-6H3.
What are the key properties of 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine?
6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 272.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 155858898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).