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

C18H24FN5O3 — CID 121437813

IUPAC5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1
InChIInChI=1S/C18H24FN5O3/c1-11(7-18(3)16(26)21-17(27)22-18)15(25)23-4-5-24(12(2)10-23)14-6-13(19)8-20-9-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H2,21,22,26,27)/t11?,12-,18?/m0/s1
InChIKeyAJGLNUIAACGBHX-LASWEOPPSA-N
MW377.42 g/mol
LogP0.88
Rot. Bonds4

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

5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (PubChem CID 121437813) has the molecular formula C18H24FN5O3 and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
PubChem CID121437813
Molecular FormulaC18H24FN5O3
Molecular Weight377.42 g/mol
Exact Mass377.19
IUPAC Name5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
SMILESCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1
InChIInChI=1S/C18H24FN5O3/c1-11(7-18(3)16(26)21-17(27)22-18)15(25)23-4-5-24(12(2)10-23)14-6-13(19)8-20-9-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H2,21,22,26,27)/t11?,12-,18?/m0/s1
InChIKeyAJGLNUIAACGBHX-LASWEOPPSA-N
XLogP0.88
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione (CID 121437813) is 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1.
What is the InChIKey of 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is AJGLNUIAACGBHX-LASWEOPPSA-N. The full InChI is InChI=1S/C18H24FN5O3/c1-11(7-18(3)16(26)21-17(27)22-18)15(25)23-4-5-24(12(2)10-23)14-6-13(19)8-20-9-14/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H2,21,22,26,27)/t11?,12-,18?/m0/s1.
What are the key properties of 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione?
5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 377.42 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 121437813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).