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

C17H22ClN5OSi — CID 90709871

IUPAC3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2c(N)cccc21
InChIInChI=1S/C17H22ClN5OSi/c1-25(2,3)10-9-24-11-23-14-6-4-5-12(19)15(14)16(22-23)13-7-8-20-17(18)21-13/h4-8H,9-11,19H2,1-3H3
InChIKeyLAEKDLXLTGCBKJ-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.04
Rot. Bonds6

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

3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (PubChem CID 90709871) has the molecular formula C17H22ClN5OSi and a molecular weight of 375.94 g/mol. Its IUPAC name is 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.

Molecular Properties

Compound Name3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
PubChem CID90709871
Molecular FormulaC17H22ClN5OSi
Molecular Weight375.94 g/mol
Exact Mass375.13
IUPAC Name3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine
SMILESC[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2c(N)cccc21
InChIInChI=1S/C17H22ClN5OSi/c1-25(2,3)10-9-24-11-23-14-6-4-5-12(19)15(14)16(22-23)13-7-8-20-17(18)21-13/h4-8H,9-11,19H2,1-3H3
InChIKeyLAEKDLXLTGCBKJ-UHFFFAOYSA-N
XLogP4.04
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.04
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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Related Compounds

2-[[3-(2-chloropyrimidin-4-yl)-5-pyridin-3-ylpyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 86676701
3-(2-aminopyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 58395989
1-(2-trimethylsilylethoxymethyl)benzimidazol-4-amine
CID 156708080
2-[[4-chloro-3-(difluoromethyl)pyrazolo[4,3-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 167528226
5-(3-chloro-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-amine
CID 58540680
2-[[4-bromo-5-(2-chloropyrimidin-4-yl)-2-phenylimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59137278
2-[[5-chloro-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-d]pyrimidin-1-yl]methoxy]ethyl-trimethylsilane
CID 140850912
2-[(5-chloropyrazolo[4,3-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140850911
2-[[2-chloro-6-(furan-2-yl)purin-9-yl]methoxy]ethyl-trimethylsilane
CID 59835019
2-[[5-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 171627565
1-[4-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N-pyrrol-1-ylmethanimine
CID 67552684
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methoxy]ethyl-trimethylsilane
CID 140879638

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The IUPAC name of 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine (CID 90709871) is 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine.
What is the SMILES notation for 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The canonical SMILES for 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is C[Si](C)(C)CCOCn1nc(-c2ccnc(Cl)n2)c2c(N)cccc21.
What is the InChIKey of 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
The InChIKey is LAEKDLXLTGCBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5OSi/c1-25(2,3)10-9-24-11-23-14-6-4-5-12(19)15(14)16(22-23)13-7-8-20-17(18)21-13/h4-8H,9-11,19H2,1-3H3.
What are the key properties of 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine?
3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine has a molecular weight of 375.94 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropyrimidin-4-yl)-1-(2-trimethylsilylethoxymethyl)indazol-4-amine is sourced from PubChem (CID 90709871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).