1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride

C19H21Cl2FN4O — CID 120735838

IUPAC1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1cn2ccccc2n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H19FN4O.2ClH/c20-15-5-3-4-14(10-15)17-12-21-7-9-24(17)19(25)11-16-13-23-8-2-1-6-18(23)22-16;;/h1-6,8,10,13,17,21H,7,9,11-12H2;2*1H
InChIKeyNFAZZUPSPNAPJI-UHFFFAOYSA-N
MW411.31 g/mol
LogP3.03
Rot. Bonds3

About 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride

1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride (PubChem CID 120735838) has the molecular formula C19H21Cl2FN4O and a molecular weight of 411.31 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
PubChem CID120735838
Molecular FormulaC19H21Cl2FN4O
Molecular Weight411.31 g/mol
Exact Mass410.11
IUPAC Name1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(Cc1cn2ccccc2n1)N1CCNCC1c1cccc(F)c1
InChIInChI=1S/C19H19FN4O.2ClH/c20-15-5-3-4-14(10-15)17-12-21-7-9-24(17)19(25)11-16-13-23-8-2-1-6-18(23)22-16;;/h1-6,8,10,13,17,21H,7,9,11-12H2;2*1H
InChIKeyNFAZZUPSPNAPJI-UHFFFAOYSA-N
XLogP3.03
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 100720151
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone;dihydrochloride
CID 120736155
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone;dihydrochloride
CID 120736167
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]ethanone
CID 120736168
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 120735990
2-(5-bromothiophen-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735590
2-(1-benzothiophen-3-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120735995
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 120737106
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120737988
2-(1,3-benzodioxol-5-yl)-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120735998
2-cyclobutyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone;hydrochloride
CID 120736006
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)sulfanylethanone;hydrochloride
CID 120737545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride?
The IUPAC name of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride (CID 120735838) is 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride.
What is the SMILES notation for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride?
The canonical SMILES for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride is Cl.Cl.O=C(Cc1cn2ccccc2n1)N1CCNCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride?
The InChIKey is NFAZZUPSPNAPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O.2ClH/c20-15-5-3-4-14(10-15)17-12-21-7-9-24(17)19(25)11-16-13-23-8-2-1-6-18(23)22-16;;/h1-6,8,10,13,17,21H,7,9,11-12H2;2*1H.
What are the key properties of 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride?
1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride has a molecular weight of 411.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone;dihydrochloride is sourced from PubChem (CID 120735838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).