[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite

C24H31FN6O2 — CID 58826299

IUPAC[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite
SMILESO=C(CN1CCN(c2cnc(-c3ccc(OF)cc3)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31FN6O2/c25-33-21-6-4-19(5-7-21)22-16-27-23(17-26-22)30-10-8-28(9-11-30)18-24(32)31-14-12-29(13-15-31)20-2-1-3-20/h4-7,16-17,20H,1-3,8-15,18H2
InChIKeyFTQSKTQNCIJUBK-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.23
Rot. Bonds6

About [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite

[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite (PubChem CID 58826299) has the molecular formula C24H31FN6O2 and a molecular weight of 454.55 g/mol. Its IUPAC name is [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite.

Molecular Properties

Compound Name[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite
PubChem CID58826299
Molecular FormulaC24H31FN6O2
Molecular Weight454.55 g/mol
Exact Mass454.25
IUPAC Name[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite
SMILESO=C(CN1CCN(c2cnc(-c3ccc(OF)cc3)cn2)CC1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C24H31FN6O2/c25-33-21-6-4-19(5-7-21)22-16-27-23(17-26-22)30-10-8-28(9-11-30)18-24(32)31-14-12-29(13-15-31)20-2-1-3-20/h4-7,16-17,20H,1-3,8-15,18H2
InChIKeyFTQSKTQNCIJUBK-UHFFFAOYSA-N
XLogP2.23
TPSA65.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite with MolForge

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Related Compounds

1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(4-propoxyphenyl)pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57443003
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(trifluoromethoxy)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57442993
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-[3-(dimethylamino)phenyl]pyrazin-2-yl]piperazin-1-yl]ethanone
CID 57443041
3-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]benzonitrile
CID 57443042
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 58826231
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(4-pyrimidin-5-ylphenyl)piperazin-1-yl]ethanone
CID 57443163
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-naphthalen-2-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443053
ethyl 4-[6-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-yl]benzoate
CID 57443180
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 57443047
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[5-(2-methylpiperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 57442793
2-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57443035
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 57442725

Frequently Asked Questions

What is the IUPAC name of [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite?
The IUPAC name of [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite (CID 58826299) is [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite.
What is the SMILES notation for [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite?
The canonical SMILES for [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite is O=C(CN1CCN(c2cnc(-c3ccc(OF)cc3)cn2)CC1)N1CCN(C2CCC2)CC1.
What is the InChIKey of [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite?
The InChIKey is FTQSKTQNCIJUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN6O2/c25-33-21-6-4-19(5-7-21)22-16-27-23(17-26-22)30-10-8-28(9-11-30)18-24(32)31-14-12-29(13-15-31)20-2-1-3-20/h4-7,16-17,20H,1-3,8-15,18H2.
What are the key properties of [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite?
[4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite has a molecular weight of 454.55 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]pyrazin-2-yl]phenyl] hypofluorite is sourced from PubChem (CID 58826299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).