trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane

C18H22N4O3Si — CID 68672964

IUPACtrimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H22N4O3Si/c1-26(2,3)11-10-25-13-21-17-5-4-15(22(23)24)12-16(17)18(20-21)14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyNCORIFWGBUAZQP-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.32
Rot. Bonds7

About trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane

trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane (PubChem CID 68672964) has the molecular formula C18H22N4O3Si and a molecular weight of 370.49 g/mol. Its IUPAC name is trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
PubChem CID68672964
Molecular FormulaC18H22N4O3Si
Molecular Weight370.49 g/mol
Exact Mass370.15
IUPAC Nametrimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C18H22N4O3Si/c1-26(2,3)11-10-25-13-21-17-5-4-15(22(23)24)12-16(17)18(20-21)14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3
InChIKeyNCORIFWGBUAZQP-UHFFFAOYSA-N
XLogP4.32
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
CID 175982890
3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22479987
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
2-[(3-isocyano-5-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;3-isocyano-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 160667224
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660
4-methoxy-3-pyridin-4-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-5-amine
CID 169305279
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
3-iodo-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22147941
trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane
CID 11637903

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane (CID 68672964) is trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2ccncc2)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?
The InChIKey is NCORIFWGBUAZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3Si/c1-26(2,3)11-10-25-13-21-17-5-4-15(22(23)24)12-16(17)18(20-21)14-6-8-19-9-7-14/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane?
trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane has a molecular weight of 370.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane is sourced from PubChem (CID 68672964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).