3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

C17H21BrClN5OSi — CID 91441736

IUPAC3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Br)c2c(N)cccc21
InChIInChI=1S/C17H21BrClN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(18)9-21-17(19)22-15/h4-6,9H,7-8,10,20H2,1-3H3
InChIKeyMXQDTVRJLPPUGA-UHFFFAOYSA-N
MW454.83 g/mol
LogP4.80
Rot. Bonds6

About 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (PubChem CID 91441736) has the molecular formula C17H21BrClN5OSi and a molecular weight of 454.83 g/mol. Its IUPAC name is 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
PubChem CID91441736
Molecular FormulaC17H21BrClN5OSi
Molecular Weight454.83 g/mol
Exact Mass453.04
IUPAC Name3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Br)c2c(N)cccc21
InChIInChI=1S/C17H21BrClN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(18)9-21-17(19)22-15/h4-6,9H,7-8,10,20H2,1-3H3
InChIKeyMXQDTVRJLPPUGA-UHFFFAOYSA-N
XLogP4.80
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The IUPAC name of 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (CID 91441736) is 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.
What is the SMILES notation for 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The canonical SMILES for 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is C[Si](C)(C)CCOCn1nc(-c2nc(Cl)ncc2Br)c2c(N)cccc21.
What is the InChIKey of 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The InChIKey is MXQDTVRJLPPUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrClN5OSi/c1-26(2,3)8-7-25-10-24-13-6-4-5-12(20)14(13)16(23-24)15-11(18)9-21-17(19)22-15/h4-6,9H,7-8,10,20H2,1-3H3.
What are the key properties of 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine has a molecular weight of 454.83 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is sourced from PubChem (CID 91441736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).