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

C17H24BN3O3 — CID 58377495

IUPAC1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2cnc3c(cnn3C3CCCCO3)c2)OC1(C)C
InChIInChI=1S/C17H24BN3O3/c1-16(2)17(3,4)24-18(23-16)13-9-12-10-20-21(15(12)19-11-13)14-7-5-6-8-22-14/h9-11,14H,5-8H2,1-4H3
InChIKeyPWUFRTQSKRKUET-UHFFFAOYSA-N
MW329.21 g/mol
LogP2.43
Rot. Bonds2

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

1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 58377495) has the molecular formula C17H24BN3O3 and a molecular weight of 329.21 g/mol. Its IUPAC name is 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID58377495
Molecular FormulaC17H24BN3O3
Molecular Weight329.21 g/mol
Exact Mass329.19
IUPAC Name1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2cnc3c(cnn3C3CCCCO3)c2)OC1(C)C
InChIInChI=1S/C17H24BN3O3/c1-16(2)17(3,4)24-18(23-16)13-9-12-10-20-21(15(12)19-11-13)14-7-5-6-8-22-14/h9-11,14H,5-8H2,1-4H3
InChIKeyPWUFRTQSKRKUET-UHFFFAOYSA-N
XLogP2.43
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (CID 58377495) is 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is CC1(C)OB(c2cnc3c(cnn3C3CCCCO3)c2)OC1(C)C.
What is the InChIKey of 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is PWUFRTQSKRKUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BN3O3/c1-16(2)17(3,4)24-18(23-16)13-9-12-10-20-21(15(12)19-11-13)14-7-5-6-8-22-14/h9-11,14H,5-8H2,1-4H3.
What are the key properties of 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 329.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 58377495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).