2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile

C20H21BN4O2 — CID 140798454

IUPAC2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C20H21BN4O2/c1-13-8-14(11-22)9-18(24-13)25-17-10-16(7-6-15(17)12-23-25)21-26-19(2,3)20(4,5)27-21/h6-10,12H,1-5H3
InChIKeyRHWSAWFEIOIDGY-UHFFFAOYSA-N
MW360.23 g/mol
LogP2.90
Rot. Bonds2

About 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile

2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile (PubChem CID 140798454) has the molecular formula C20H21BN4O2 and a molecular weight of 360.23 g/mol. Its IUPAC name is 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
PubChem CID140798454
Molecular FormulaC20H21BN4O2
Molecular Weight360.23 g/mol
Exact Mass360.18
IUPAC Name2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1
InChIInChI=1S/C20H21BN4O2/c1-13-8-14(11-22)9-18(24-13)25-17-10-16(7-6-15(17)12-23-25)21-26-19(2,3)20(4,5)27-21/h6-10,12H,1-5H3
InChIKeyRHWSAWFEIOIDGY-UHFFFAOYSA-N
XLogP2.90
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile
CID 140798345
ethane;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 145002389
1-(3-chloro-6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798284
6-(6-bromopyrazin-2-yl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dibromopyrazine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 160590928
1-[6-(isocyanomethyl)-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 140798292
1-[6-(6-bromoindazol-1-yl)-2-pyridinyl]ethanone;1-[6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159885096
1-(1-methylpiperidin-4-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 171466617
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 46830501
tert-butyl-dimethyl-[[3-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]phenyl]methoxy]silane
CID 140798210
9-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbazole-3-carbonitrile
CID 150721873
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]benzonitrile
CID 66520914
2-(4,5-dimethylimidazol-1-yl)-6-methylpyridine-4-carbonitrile
CID 114766737

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile (CID 140798454) is 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile is Cc1cc(C#N)cc(-n2ncc3ccc(B4OC(C)(C)C(C)(C)O4)cc32)n1.
What is the InChIKey of 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
The InChIKey is RHWSAWFEIOIDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BN4O2/c1-13-8-14(11-22)9-18(24-13)25-17-10-16(7-6-15(17)12-23-25)21-26-19(2,3)20(4,5)27-21/h6-10,12H,1-5H3.
What are the key properties of 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile?
2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile has a molecular weight of 360.23 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 140798454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).