5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

C19H26FN5O3 — CID 121438000

IUPAC5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCCC1(CC(C)C(=O)N2CCN(c3cncc(F)c3)[C@@H](C)C2)NC(=O)NC1=O
InChIInChI=1S/C19H26FN5O3/c1-4-19(17(27)22-18(28)23-19)8-12(2)16(26)24-5-6-25(13(3)11-24)15-7-14(20)9-21-10-15/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,22,23,27,28)/t12?,13-,19?/m0/s1
InChIKeyROPDYRXFMKFYGX-MLZJXEJWSA-N
MW391.45 g/mol
LogP1.27
Rot. Bonds5

About 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione

5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121438000) has the molecular formula C19H26FN5O3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121438000
Molecular FormulaC19H26FN5O3
Molecular Weight391.45 g/mol
Exact Mass391.20
IUPAC Name5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
SMILESCCC1(CC(C)C(=O)N2CCN(c3cncc(F)c3)[C@@H](C)C2)NC(=O)NC1=O
InChIInChI=1S/C19H26FN5O3/c1-4-19(17(27)22-18(28)23-19)8-12(2)16(26)24-5-6-25(13(3)11-24)15-7-14(20)9-21-10-15/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,22,23,27,28)/t12?,13-,19?/m0/s1
InChIKeyROPDYRXFMKFYGX-MLZJXEJWSA-N
XLogP1.27
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.27
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

3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
2,4,9-Trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione
CID 44457461
5-[3-[4-(3,4-Difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437622
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437633
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
CID 121437650
5-[3-[4-(3-Fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437652
5-[3-[4-(5-Fluoro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437662
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(6-methyl-3-pyridinyl)imidazolidine-2,4-dione
CID 121437701
5-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437719
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyrimidin-5-ylimidazolidine-2,4-dione
CID 121437722
5-[3-[4-(3-Fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 121437723

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (CID 121438000) is 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is CCC1(CC(C)C(=O)N2CCN(c3cncc(F)c3)[C@@H](C)C2)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is ROPDYRXFMKFYGX-MLZJXEJWSA-N. The full InChI is InChI=1S/C19H26FN5O3/c1-4-19(17(27)22-18(28)23-19)8-12(2)16(26)24-5-6-25(13(3)11-24)15-7-14(20)9-21-10-15/h7,9-10,12-13H,4-6,8,11H2,1-3H3,(H2,22,23,27,28)/t12?,13-,19?/m0/s1.
What are the key properties of 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?
5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 391.45 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121438000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).