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

C19H21BFN3O2 — CID 142348071

IUPAC1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2nn(Cc3ccccc3F)c3ncccc23)OC1(C)C
InChIInChI=1S/C19H21BFN3O2/c1-18(2)19(3,4)26-20(25-18)16-14-9-7-11-22-17(14)24(23-16)12-13-8-5-6-10-15(13)21/h5-11H,12H2,1-4H3
InChIKeyGBTWSPKLXCTUHR-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.92
Rot. Bonds3

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

1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 142348071) has the molecular formula C19H21BFN3O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID142348071
Molecular FormulaC19H21BFN3O2
Molecular Weight353.21 g/mol
Exact Mass353.17
IUPAC Name1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCC1(C)OB(c2nn(Cc3ccccc3F)c3ncccc23)OC1(C)C
InChIInChI=1S/C19H21BFN3O2/c1-18(2)19(3,4)26-20(25-18)16-14-9-7-11-22-17(14)24(23-16)12-13-8-5-6-10-15(13)21/h5-11H,12H2,1-4H3
InChIKeyGBTWSPKLXCTUHR-UHFFFAOYSA-N
XLogP2.92
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.92
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-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine (CID 142348071) is 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is CC1(C)OB(c2nn(Cc3ccccc3F)c3ncccc23)OC1(C)C.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is GBTWSPKLXCTUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BFN3O2/c1-18(2)19(3,4)26-20(25-18)16-14-9-7-11-22-17(14)24(23-16)12-13-8-5-6-10-15(13)21/h5-11H,12H2,1-4H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine?
1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 353.21 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 142348071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).