[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone

C22H33FN4O3Si — CID 175727158

IUPAC[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC3C)nn2COCC[Si](C)(C)C)c(F)cn1
InChIInChI=1S/C22H33FN4O3Si/c1-16-8-6-7-9-26(16)22(28)19-13-20(17-12-21(29-2)24-14-18(17)23)27(25-19)15-30-10-11-31(3,4)5/h12-14,16H,6-11,15H2,1-5H3
InChIKeyJTOJIAIBWVDGOM-UHFFFAOYSA-N
MW448.62 g/mol
LogP4.42
Rot. Bonds8

About [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone

[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 175727158) has the molecular formula C22H33FN4O3Si and a molecular weight of 448.62 g/mol. Its IUPAC name is [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID175727158
Molecular FormulaC22H33FN4O3Si
Molecular Weight448.62 g/mol
Exact Mass448.23
IUPAC Name[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1cc(-c2cc(C(=O)N3CCCCC3C)nn2COCC[Si](C)(C)C)c(F)cn1
InChIInChI=1S/C22H33FN4O3Si/c1-16-8-6-7-9-26(16)22(28)19-13-20(17-12-21(29-2)24-14-18(17)23)27(25-19)15-30-10-11-31(3,4)5/h12-14,16H,6-11,15H2,1-5H3
InChIKeyJTOJIAIBWVDGOM-UHFFFAOYSA-N
XLogP4.42
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 54.42
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'}

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Related Compounds

[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
CID 175726871
2-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylic acid
CID 175955268
2-ethyl-1-[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 174044173
methyl 4-[5-(2-cyclopropyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazole-3-carbonyl]-4-azaspiro[2.5]octane-7-carboxylate
CID 163294731
(5-amino-1-ethylpyrazol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 122171469
2-(2-methoxyethyl)-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 47020029
[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone
CID 2872139
2-(6-methoxy-3-pyridinyl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 176781033
2-ethyl-6-(2-methylpiperidine-1-carbonyl)pyridazin-3-one
CID 121066841
[(2S)-2-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 92719861
[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]-(2-methylpiperidin-1-yl)methanone
CID 5128006
(5-ethoxy-1-phenylpyrazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95756843

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone (CID 175727158) is [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone is COc1cc(-c2cc(C(=O)N3CCCCC3C)nn2COCC[Si](C)(C)C)c(F)cn1.
What is the InChIKey of [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is JTOJIAIBWVDGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O3Si/c1-16-8-6-7-9-26(16)22(28)19-13-20(17-12-21(29-2)24-14-18(17)23)27(25-19)15-30-10-11-31(3,4)5/h12-14,16H,6-11,15H2,1-5H3.
What are the key properties of [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone?
[5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 448.62 g/mol, XLogP of 4.42, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-2-methoxy-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 175727158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).