[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

C34H38Br2N6O2Si — CID 157150775

About [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 157150775) has the molecular formula C34H38Br2N6O2Si and a molecular weight of 750.61 g/mol. Its IUPAC name is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
• PubChem CID: 157150775
• Molecular Formula: C34H38Br2N6O2Si
• Molecular Weight: 750.61 g/mol
• Exact Mass: 748.12
• IUPAC Name: [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
• SMILES: Cc1cc(Br)c2cnn(-c3cccc(CO)n3)c2c1.Cc1cc(Br)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1
• InChI: InChI=1S/C20H26BrN3OSi.C14H12BrN3O/c1-14-10-17(21)16-12-22-24(18(16)11-14)19-9-7-8-15(23-19)13-25-26(5,6)20(2,3)4;1-9-5-12(15)11-7-16-18(13(11)6-9)14-4-2-3-10(8-19)17-14/h7-12H,13H2,1-6H3;2-7,19H,8H2,1H3
• InChIKey: ALFQAFFCLXTNBP-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 90.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.61
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	1
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 [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The IUPAC name of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 157150775) is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The canonical SMILES for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is Cc1cc(Br)c2cnn(-c3cccc(CO)n3)c2c1.Cc1cc(Br)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1.

What is the InChIKey of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

The InChIKey is ALFQAFFCLXTNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3OSi.C14H12BrN3O/c1-14-10-17(21)16-12-22-24(18(16)11-14)19-9-7-8-15(23-19)13-25-26(5,6)20(2,3)4;1-9-5-12(15)11-7-16-18(13(11)6-9)14-4-2-3-10(8-19)17-14/h7-12H,13H2,1-6H3;2-7,19H,8H2,1H3.

What are the key properties of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?

[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 750.61 g/mol, XLogP of 9.00, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methanol;[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 157150775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).