5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C19H21BFN3O2 — CID 140798398

IUPAC5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCc1cccc(-n2ncc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C19H21BFN3O2/c1-12-7-6-8-17(23-12)24-16-10-14(15(21)9-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20/h6-11H,1-5H3
InChIKeyRNZARKZZMPGCBD-UHFFFAOYSA-N
MW353.21 g/mol
LogP3.17
Rot. Bonds2

About 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 140798398) has the molecular formula C19H21BFN3O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID140798398
Molecular FormulaC19H21BFN3O2
Molecular Weight353.21 g/mol
Exact Mass353.17
IUPAC Name5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESCc1cccc(-n2ncc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C19H21BFN3O2/c1-12-7-6-8-17(23-12)24-16-10-14(15(21)9-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20/h6-11H,1-5H3
InChIKeyRNZARKZZMPGCBD-UHFFFAOYSA-N
XLogP3.17
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 140798398) is 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Cc1cccc(-n2ncc3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc32)n1.
What is the InChIKey of 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is RNZARKZZMPGCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BFN3O2/c1-12-7-6-8-17(23-12)24-16-10-14(15(21)9-13(16)11-22-24)20-25-18(2,3)19(4,5)26-20/h6-11H,1-5H3.
What are the key properties of 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 353.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 140798398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).