7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C17H22BFN2O2 — CID 140850053

IUPAC7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESC=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2nn1C
InChIInChI=1S/C17H22BFN2O2/c1-10(2)15-12-8-11(9-13(19)14(12)20-21(15)7)18-22-16(3,4)17(5,6)23-18/h8-9H,1H2,2-7H3
InChIKeySBXHLSRZOHTZHM-UHFFFAOYSA-N
MW316.19 g/mol
LogP3.04
Rot. Bonds2

About 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 140850053) has the molecular formula C17H22BFN2O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID140850053
Molecular FormulaC17H22BFN2O2
Molecular Weight316.19 g/mol
Exact Mass316.18
IUPAC Name7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESC=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2nn1C
InChIInChI=1S/C17H22BFN2O2/c1-10(2)15-12-8-11(9-13(19)14(12)20-21(15)7)18-22-16(3,4)17(5,6)23-18/h8-9H,1H2,2-7H3
InChIKeySBXHLSRZOHTZHM-UHFFFAOYSA-N
XLogP3.04
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(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

Related Compounds

7-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 139022780
2-(3,5-difluoro-4-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131676913
3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 171611249
2-bromo-3-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
CID 162785377
4-fluoro-3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
CID 118995345
2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CID 58504590
3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 59535310
1-cyclohexyl-4-fluoro-2-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 145195941
[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-7-yl]methanol
CID 178051117
3,5-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol;ethane
CID 143678827
2-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140723688
2-[3,5-difluoro-4-(2-methylpropoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164890993

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 140850053) is 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is C=C(C)c1c2cc(B3OC(C)(C)C(C)(C)O3)cc(F)c2nn1C.
What is the InChIKey of 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is SBXHLSRZOHTZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BFN2O2/c1-10(2)15-12-8-11(9-13(19)14(12)20-21(15)7)18-22-16(3,4)17(5,6)23-18/h8-9H,1H2,2-7H3.
What are the key properties of 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 316.19 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-3-prop-1-en-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 140850053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).