1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone

C21H23FN4OS — CID 120736168

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCNCC3c3cccc(F)c3)cn2c1
InChIInChI=1S/C21H23FN4OS/c1-15-5-6-20-24-18(12-25(20)11-15)13-28-14-21(27)26-8-7-23-10-19(26)16-3-2-4-17(22)9-16/h2-6,9,11-12,19,23H,7-8,10,13-14H2,1H3
InChIKeyRMRJXCOOEQPLQK-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.19
Rot. Bonds5

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone (PubChem CID 120736168) has the molecular formula C21H23FN4OS and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
PubChem CID120736168
Molecular FormulaC21H23FN4OS
Molecular Weight398.51 g/mol
Exact Mass398.16
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
SMILESCc1ccc2nc(CSCC(=O)N3CCNCC3c3cccc(F)c3)cn2c1
InChIInChI=1S/C21H23FN4OS/c1-15-5-6-20-24-18(12-25(20)11-15)13-28-14-21(27)26-8-7-23-10-19(26)16-3-2-4-17(22)9-16/h2-6,9,11-12,19,23H,7-8,10,13-14H2,1H3
InChIKeyRMRJXCOOEQPLQK-UHFFFAOYSA-N
XLogP3.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone with MolForge

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Related Compounds

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120736167
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120729860
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;dihydrochloride
CID 120877465
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
CID 120735838
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone;hydrochloride
CID 120737341
3-ethyl-1-[2-(3-fluorophenyl)piperazin-1-yl]pentan-1-one
CID 120736504
1-[2-(3-fluorophenyl)piperazin-1-yl]-4-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 120737651
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone (CID 120736168) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone is Cc1ccc2nc(CSCC(=O)N3CCNCC3c3cccc(F)c3)cn2c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
The InChIKey is RMRJXCOOEQPLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4OS/c1-15-5-6-20-24-18(12-25(20)11-15)13-28-14-21(27)26-8-7-23-10-19(26)16-3-2-4-17(22)9-16/h2-6,9,11-12,19,23H,7-8,10,13-14H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone is sourced from PubChem (CID 120736168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).