tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

C28H38BN5O3Si — CID 140798306

About tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane

tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (PubChem CID 140798306) has the molecular formula C28H38BN5O3Si and a molecular weight of 531.54 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
• PubChem CID: 140798306
• Molecular Formula: C28H38BN5O3Si
• Molecular Weight: 531.54 g/mol
• Exact Mass: 531.28
• IUPAC Name: tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane
• SMILES: CC1(C)OB(c2cc(-n3cccn3)c3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C
• InChI: InChI=1S/C28H38BN5O3Si/c1-26(2,3)38(8,9)35-19-21-12-10-13-25(32-21)34-24-17-20(29-36-27(4,5)28(6,7)37-29)16-23(22(24)18-31-34)33-15-11-14-30-33/h10-18H,19H2,1-9H3
• InChIKey: GHJYYOIJIZTVEO-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 76.22 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.54
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?

The IUPAC name of tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane (CID 140798306) is tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane.

What is the SMILES notation for tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?

The canonical SMILES for tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is CC1(C)OB(c2cc(-n3cccn3)c3cnn(-c4cccc(CO[Si](C)(C)C(C)(C)C)n4)c3c2)OC1(C)C.

What is the InChIKey of tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?

The InChIKey is GHJYYOIJIZTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38BN5O3Si/c1-26(2,3)38(8,9)35-19-21-12-10-13-25(32-21)34-24-17-20(29-36-27(4,5)28(6,7)37-29)16-23(22(24)18-31-34)33-15-11-14-30-33/h10-18H,19H2,1-9H3.

What are the key properties of tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane?

tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane has a molecular weight of 531.54 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[[6-[4-pyrazol-1-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane is sourced from PubChem (CID 140798306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).