1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane

C32H36Br2N8O2Si — CID 158551199

About 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane

1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane (PubChem CID 158551199) has the molecular formula C32H36Br2N8O2Si and a molecular weight of 752.59 g/mol. Its IUPAC name is 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

• Compound Name: 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane
• PubChem CID: 158551199
• Molecular Formula: C32H36Br2N8O2Si
• Molecular Weight: 752.59 g/mol
• Exact Mass: 750.11
• IUPAC Name: 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane
• SMILES: CC(O)c1ccnc(-n2ncc3ccc(Br)cc32)n1.CC(O[Si](C)(C)C(C)(C)C)c1ccnc(-n2ncc3ccc(Br)cc32)n1
• InChI: InChI=1S/C19H25BrN4OSi.C13H11BrN4O/c1-13(25-26(5,6)19(2,3)4)16-9-10-21-18(23-16)24-17-11-15(20)8-7-14(17)12-22-24;1-8(19)11-4-5-15-13(17-11)18-12-6-10(14)3-2-9(12)7-16-18/h7-13H,1-6H3;2-8,19H,1H3
• InChIKey: HPSYPNKRSNFPHN-UHFFFAOYSA-N
• XLogP: 8.29
• TPSA: 116.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.59
LogP ≤ 5	8.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane?

The IUPAC name of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane (CID 158551199) is 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane.

What is the SMILES notation for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane?

The canonical SMILES for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane is CC(O)c1ccnc(-n2ncc3ccc(Br)cc32)n1.CC(O[Si](C)(C)C(C)(C)C)c1ccnc(-n2ncc3ccc(Br)cc32)n1.

What is the InChIKey of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane?

The InChIKey is HPSYPNKRSNFPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4OSi.C13H11BrN4O/c1-13(25-26(5,6)19(2,3)4)16-9-10-21-18(23-16)24-17-11-15(20)8-7-14(17)12-22-24;1-8(19)11-4-5-15-13(17-11)18-12-6-10(14)3-2-9(12)7-16-18/h7-13H,1-6H3;2-8,19H,1H3.

What are the key properties of 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane?

1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane has a molecular weight of 752.59 g/mol, XLogP of 8.29, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethanol;1-[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 158551199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).