4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone

C24H35FN4O2Si — CID 175726880

IUPAC4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone
SMILESCCc1cc(-c2cc(C(=O)N3CCCCC34CC4)nn2COCC[Si](C)(C)C)c(F)cn1
InChIInChI=1S/C24H35FN4O2Si/c1-5-18-14-19(20(25)16-26-18)22-15-21(27-29(22)17-31-12-13-32(2,3)4)23(30)28-11-7-6-8-24(28)9-10-24/h14-16H,5-13,17H2,1-4H3
InChIKeyBJOYIHZBTSJPLA-UHFFFAOYSA-N
MW458.65 g/mol
LogP5.12
Rot. Bonds8

About 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone

4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone (PubChem CID 175726880) has the molecular formula C24H35FN4O2Si and a molecular weight of 458.65 g/mol. Its IUPAC name is 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone
PubChem CID175726880
Molecular FormulaC24H35FN4O2Si
Molecular Weight458.65 g/mol
Exact Mass458.25
IUPAC Name4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone
SMILESCCc1cc(-c2cc(C(=O)N3CCCCC34CC4)nn2COCC[Si](C)(C)C)c(F)cn1
InChIInChI=1S/C24H35FN4O2Si/c1-5-18-14-19(20(25)16-26-18)22-15-21(27-29(22)17-31-12-13-32(2,3)4)23(30)28-11-7-6-8-24(28)9-10-24/h14-16H,5-13,17H2,1-4H3
InChIKeyBJOYIHZBTSJPLA-UHFFFAOYSA-N
XLogP5.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.65
LogP ≤ 55.12
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

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CID 24811854
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 140268009
[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 140268020
9'-(6-Fluoro-3-pyridinyl)-2'-(methoxymethyl)-5'-methylspiro[cyclopropane-1,6'-pyrazolo[3,4-d][2]benzazepine]-4'-one
CID 142469564
(1-Benzyl-3-tert-butylpyrazol-5-yl)-(4-pyridin-2-ylpiperidin-1-yl)methanone
CID 44526191
[4-[2-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
CID 57394858
(3-fluorophenyl)-[2-(5-fluoro-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 155513245
6-Cyclopropyl-2,4-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazolo[3,4-c]pyridin-7-one
CID 172639007
3-[(R)-amino-[6-(trifluoromethyl)-3-pyridinyl]methyl]-4-cyclopropyl-6-ethyl-2-methylpyrazolo[3,4-c]pyridin-7-one
CID 172639011
N-methyl-3-{1-[(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)carbonyl]-3-piperidinyl}-N-[2-(2-pyridinyl)ethyl]propanamide
CID 16189186
(7S)-5-(4-fluorophenyl)-7-methyl-3-(2-methyl-4-pyridinyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 121293353
3-cyclopropyl-1-methyl-N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]pyrazole-5-carboxamide
CID 117609748

Frequently Asked Questions

What is the IUPAC name of 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone?
The IUPAC name of 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone (CID 175726880) is 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone?
The canonical SMILES for 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone is CCc1cc(-c2cc(C(=O)N3CCCCC34CC4)nn2COCC[Si](C)(C)C)c(F)cn1.
What is the InChIKey of 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone?
The InChIKey is BJOYIHZBTSJPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN4O2Si/c1-5-18-14-19(20(25)16-26-18)22-15-21(27-29(22)17-31-12-13-32(2,3)4)23(30)28-11-7-6-8-24(28)9-10-24/h14-16H,5-13,17H2,1-4H3.
What are the key properties of 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone?
4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone has a molecular weight of 458.65 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azaspiro[2.5]octan-4-yl-[5-(2-ethyl-5-fluoro-4-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 175726880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).