N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

C17H21ClFN5OSi — CID 87861324

IUPACN-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc2c(Nc3nc(Cl)ncc3F)cccc21
InChIInChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-11-24-15-6-4-5-14(12(15)9-21-24)22-16-13(19)10-20-17(18)23-16/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,22,23)
InChIKeyKWGWJSCZHCGBAU-UHFFFAOYSA-N
MW393.93 g/mol
LogP4.67
Rot. Bonds7

About N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine

N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (PubChem CID 87861324) has the molecular formula C17H21ClFN5OSi and a molecular weight of 393.93 g/mol. Its IUPAC name is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.

Molecular Properties

Compound NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
PubChem CID87861324
Molecular FormulaC17H21ClFN5OSi
Molecular Weight393.93 g/mol
Exact Mass393.12
IUPAC NameN-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc2c(Nc3nc(Cl)ncc3F)cccc21
InChIInChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-11-24-15-6-4-5-14(12(15)9-21-24)22-16-13(19)10-20-17(18)23-16/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,22,23)
InChIKeyKWGWJSCZHCGBAU-UHFFFAOYSA-N
XLogP4.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.93
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The IUPAC name of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (CID 87861324) is N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.
What is the SMILES notation for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The canonical SMILES for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is C[Si](C)(C)CCOCn1ncc2c(Nc3nc(Cl)ncc3F)cccc21.
What is the InChIKey of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The InChIKey is KWGWJSCZHCGBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN5OSi/c1-26(2,3)8-7-25-11-24-15-6-4-5-14(12(15)9-21-24)22-16-13(19)10-20-17(18)23-16/h4-6,9-10H,7-8,11H2,1-3H3,(H,20,22,23).
What are the key properties of N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine has a molecular weight of 393.93 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is sourced from PubChem (CID 87861324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).