5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

C22H24FN5O3 — CID 121437719

IUPAC5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C22H24FN5O3/c1-15-14-27(11-12-28(15)17-6-4-5-16(23)13-17)19(29)8-9-22(18-7-2-3-10-24-18)20(30)25-21(31)26-22/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,25,26,30,31)/t15-,22?/m0/s1
InChIKeyGSXIQRJZGFBFQF-UEDXYCIISA-N
MW425.46 g/mol
LogP1.77
Rot. Bonds5

About 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione

5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 121437719) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID121437719
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1cccc(F)c1
InChIInChI=1S/C22H24FN5O3/c1-15-14-27(11-12-28(15)17-6-4-5-16(23)13-17)19(29)8-9-22(18-7-2-3-10-24-18)20(30)25-21(31)26-22/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,25,26,30,31)/t15-,22?/m0/s1
InChIKeyGSXIQRJZGFBFQF-UEDXYCIISA-N
XLogP1.77
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 ≤ 51.77
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

5-Phenyl-3-(3-pyridinylmethyl)-5-(trifluoromethyl)-2,4-imidazolidinedione
CID 2968088
N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]pyrrolidine-1-carboxamide
CID 10072971
(4R)-4-(3,4-Difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid [3-(3',4',5',6'-tetrahydro-2'H-[2,4']bipyridinyl-1'-yl)-propyl]-amide
CID 10576280
1-Phenyl-8-pyridin-2-ylmethyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 24735827
2,5,9-Trimethyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione
CID 44457466
3,5-Dimethyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457473
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)picolinamide
CID 45268222
(S)-2-amino-4-(2,6-diethylpyridin-4-yl)-4-(3-(2-fluoropyridin-3-yl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 46231555
2-Amino-5-(2,6-diethyl-4-pyridinyl)-5-[3-(2-fluoro-3-pyridinyl)phenyl]-3-methylimidazol-4-one
CID 46231556
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46865648
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-(3,4-difluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]quinoline-3-carboxamide
CID 46939323

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 121437719) is 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1cccc(F)c1.
What is the InChIKey of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is GSXIQRJZGFBFQF-UEDXYCIISA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-15-14-27(11-12-28(15)17-6-4-5-16(23)13-17)19(29)8-9-22(18-7-2-3-10-24-18)20(30)25-21(31)26-22/h2-7,10,13,15H,8-9,11-12,14H2,1H3,(H2,25,26,30,31)/t15-,22?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione?
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 425.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121437719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).