5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C22H24FN5O3 — CID 121437652

IUPAC5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1c(F)cccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H24FN5O3/c1-15-17(23)5-2-6-18(15)27-10-12-28(13-11-27)19(29)7-8-22(16-4-3-9-24-14-16)20(30)25-21(31)26-22/h2-6,9,14H,7-8,10-13H2,1H3,(H2,25,26,30,31)
InChIKeyIYRWDUSCTLDQHP-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.69
Rot. Bonds5

About 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 121437652) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID121437652
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1c(F)cccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H24FN5O3/c1-15-17(23)5-2-6-18(15)27-10-12-28(13-11-27)19(29)7-8-22(16-4-3-9-24-14-16)20(30)25-21(31)26-22/h2-6,9,14H,7-8,10-13H2,1H3,(H2,25,26,30,31)
InChIKeyIYRWDUSCTLDQHP-UHFFFAOYSA-N
XLogP1.69
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(Phenylalaninyl-prolinyl)-(2-(pyridin-4-ylamino)-ethyl)-amine
CID 23586040
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CID 137632887
N-{3-methyl-2-oxo-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-6-yl}-N'-[(pyridin-3-yl)methyl]ethanediamide
CID 16823237
5-Phenyl-3-(3-pyridinylmethyl)-5-(trifluoromethyl)-2,4-imidazolidinedione
CID 2968088
N-[2,5-dioxo-1-(pyridin-3-ylmethyl)-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 4325939
1-Phenyl-8-pyridin-3-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9797246
N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 10072971
4-(2-oxo-4-(pyridin-4-yl)imidazolidin-1-yl)-N-((R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
CID 11527287
6-Fluoro-3-[4-(4-pyridin-2-yl-piperazine-1-yl)-butyl]-1,3-dihydro-2H-indol-2-one
CID 11595790
N-[2-[1-(3-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939226
N-[2-[1-(4-fluorophenyl)-4-oxidanylidene-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide;2,2,2-tris(fluoranyl)ethanoic acid
CID 46939408
8-[(3-methyl-2-pyridinyl)methyl]-1-(2-oxo-1H-pyrimidin-6-yl)-3-(4-phenylphenyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 49847753

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 121437652) is 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is Cc1c(F)cccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is IYRWDUSCTLDQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-15-17(23)5-2-6-18(15)27-10-12-28(13-11-27)19(29)7-8-22(16-4-3-9-24-14-16)20(30)25-21(31)26-22/h2-6,9,14H,7-8,10-13H2,1H3,(H2,25,26,30,31).
What are the key properties of 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3-fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121437652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).