5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

C18H18N4O4Si — CID 67535151

IUPAC5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESC[Si](C)(C)OC(C#N)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1
InChIInChI=1S/C18H18N4O4Si/c1-27(2,3)26-16(10-19)14-9-17(21-11-20-14)25-13-4-5-15-12(8-13)6-7-22(15)18(23)24/h4-9,11,16H,1-3H3,(H,23,24)
InChIKeyKQBIIVDXERYURT-UHFFFAOYSA-N
MW382.45 g/mol
LogP4.17
Rot. Bonds5

About 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid

5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (PubChem CID 67535151) has the molecular formula C18H18N4O4Si and a molecular weight of 382.45 g/mol. Its IUPAC name is 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid.

Molecular Properties

Compound Name5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
PubChem CID67535151
Molecular FormulaC18H18N4O4Si
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
SMILESC[Si](C)(C)OC(C#N)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1
InChIInChI=1S/C18H18N4O4Si/c1-27(2,3)26-16(10-19)14-9-17(21-11-20-14)25-13-4-5-15-12(8-13)6-7-22(15)18(23)24/h4-9,11,16H,1-3H3,(H,23,24)
InChIKeyKQBIIVDXERYURT-UHFFFAOYSA-N
XLogP4.17
TPSA110.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[6-[[acetyl(methyl)amino]methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid
CID 67538335
5-(6-aminopyrimidin-4-yl)oxy-N-methylindole-1-carboxamide
CID 21054849
5-methoxyindole-1-carboxylic acid
CID 68566461
[6-[1-(methylcarbamoyl)indol-5-yl]oxypyrimidin-4-yl]-phenylcarbamic acid
CID 69316750
5-(2-methyl-6-methylsulfonylpyrimidin-4-yl)oxyindole-1-carboxylic acid
CID 67538833
5-[[2-(propan-2-ylcarbamoyl)-4-pyridinyl]oxy]indole-1-carboxylic acid
CID 71149256
5-[6-(methylaminomethyl)pyrimidin-4-yl]oxy-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)indole-1-carboxamide
CID 59394126
(4-nitrophenyl) 5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 59394514
N-(1-tert-butylpyrazol-3-yl)-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394167
5-[6-cyano-7-(2-methoxyethoxy)quinolin-4-yl]oxyindole-1-carboxylic acid
CID 68668381
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 46224242
N-[2-fluoro-3-(trifluoromethyl)phenyl]-5-[6-(methylaminomethyl)pyrimidin-4-yl]oxyindole-1-carboxamide
CID 59394627

Frequently Asked Questions

What is the IUPAC name of 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The IUPAC name of 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid (CID 67535151) is 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid.
What is the SMILES notation for 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The canonical SMILES for 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is C[Si](C)(C)OC(C#N)c1cc(Oc2ccc3c(ccn3C(=O)O)c2)ncn1.
What is the InChIKey of 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
The InChIKey is KQBIIVDXERYURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4Si/c1-27(2,3)26-16(10-19)14-9-17(21-11-20-14)25-13-4-5-15-12(8-13)6-7-22(15)18(23)24/h4-9,11,16H,1-3H3,(H,23,24).
What are the key properties of 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid?
5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid has a molecular weight of 382.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[cyano(trimethylsilyloxy)methyl]pyrimidin-4-yl]oxyindole-1-carboxylic acid is sourced from PubChem (CID 67535151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).