methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate

C23H32ClNO4Si — CID 101254875

IUPACmethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32ClNO4Si/c1-16-19(9-8-14-29-30(6,7)23(2,3)4)20(22(27)28-5)15-25(21(16)26)18-12-10-17(24)11-13-18/h10-13,15H,8-9,14H2,1-7H3
InChIKeyOULRSRVKAIYYJH-UHFFFAOYSA-N
MW450.05 g/mol
LogP5.54
Rot. Bonds7

About methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate (PubChem CID 101254875) has the molecular formula C23H32ClNO4Si and a molecular weight of 450.05 g/mol. Its IUPAC name is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
PubChem CID101254875
Molecular FormulaC23H32ClNO4Si
Molecular Weight450.05 g/mol
Exact Mass449.18
IUPAC Namemethyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H32ClNO4Si/c1-16-19(9-8-14-29-30(6,7)23(2,3)4)20(22(27)28-5)15-25(21(16)26)18-12-10-17(24)11-13-18/h10-13,15H,8-9,14H2,1-7H3
InChIKeyOULRSRVKAIYYJH-UHFFFAOYSA-N
XLogP5.54
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.05
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxylate
CID 11001374
methyl 5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-chlorobenzoate
CID 139036162
dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339243
methyl 3-amino-4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]-2-methylbenzoate
CID 177149312
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-oxo-5-prop-2-enyl-1H-pyridine-3-carboxylate
CID 102271787
methyl 5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]pyridine-2-carboxylate
CID 91756282
4-N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-3-N-(4-chlorophenyl)-1-methylpyrrole-3,4-dicarboxamide
CID 69228643
methyl 3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloro-7-[5-ethyl-3-(hydroxymethyl)-1-methylpyrazol-4-yl]-1-methylindole-2-carboxylate
CID 169015767
methyl 1-(3-acetylsulfanylpropyl)-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloro-7-(1-methylpyrazol-4-yl)indole-2-carboxylate
CID 171725090
[3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-methoxy-2-methylindol-1-yl]-(4-chlorophenyl)methanone
CID 11641115
methyl (2S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-oxo-2,3-dihydro-1H-quinoline-6-carboxylate
CID 101152635
5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]thiophene-2-carbaldehyde
CID 131735364

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate (CID 101254875) is methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate is COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c(C)c1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is OULRSRVKAIYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClNO4Si/c1-16-19(9-8-14-29-30(6,7)23(2,3)4)20(22(27)28-5)15-25(21(16)26)18-12-10-17(24)11-13-18/h10-13,15H,8-9,14H2,1-7H3.
What are the key properties of methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate?
methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 450.05 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-1-(4-chlorophenyl)-5-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 101254875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).