[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane

C18H23BrN4OSi — CID 140798458

IUPAC[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C18H23BrN4OSi/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23/h6-11H,12H2,1-5H3
InChIKeyBKSRBXUGJWKLGQ-UHFFFAOYSA-N
MW419.40 g/mol
LogP5.10
Rot. Bonds4

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

[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140798458) has the molecular formula C18H23BrN4OSi and a molecular weight of 419.40 g/mol. Its IUPAC name is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID140798458
Molecular FormulaC18H23BrN4OSi
Molecular Weight419.40 g/mol
Exact Mass418.08
IUPAC Name[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1
InChIInChI=1S/C18H23BrN4OSi/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23/h6-11H,12H2,1-5H3
InChIKeyBKSRBXUGJWKLGQ-UHFFFAOYSA-N
XLogP5.10
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.40
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane (CID 140798458) is [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1ccnc(-n2ncc3ccc(Br)cc32)n1.
What is the InChIKey of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BKSRBXUGJWKLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN4OSi/c1-18(2,3)25(4,5)24-12-15-8-9-20-17(22-15)23-16-10-14(19)7-6-13(16)11-21-23/h6-11H,12H2,1-5H3.
What are the key properties of [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane?
[2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 419.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-bromoindazol-1-yl)pyrimidin-4-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140798458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).