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

C19H24FN5O3 — CID 121449120

IUPAC5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cncc(F)c1
InChIInChI=1S/C19H24FN5O3/c1-12-11-24(6-7-25(12)15-8-14(20)9-21-10-15)16(26)4-5-19(13-2-3-13)17(27)22-18(28)23-19/h8-10,12-13H,2-7,11H2,1H3,(H2,22,23,27,28)/t12-,19?/m0/s1
InChIKeyXWLAXIOCGZADSP-HSLMYDHPSA-N
MW389.43 g/mol
LogP1.03
Rot. Bonds5

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

5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121449120) has the molecular formula C19H24FN5O3 and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121449120
Molecular FormulaC19H24FN5O3
Molecular Weight389.43 g/mol
Exact Mass389.19
IUPAC Name5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cncc(F)c1
InChIInChI=1S/C19H24FN5O3/c1-12-11-24(6-7-25(12)15-8-14(20)9-21-10-15)16(26)4-5-19(13-2-3-13)17(27)22-18(28)23-19/h8-10,12-13H,2-7,11H2,1H3,(H2,22,23,27,28)/t12-,19?/m0/s1
InChIKeyXWLAXIOCGZADSP-HSLMYDHPSA-N
XLogP1.03
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 51.03
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-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121449120) is 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cncc(F)c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is XWLAXIOCGZADSP-HSLMYDHPSA-N. The full InChI is InChI=1S/C19H24FN5O3/c1-12-11-24(6-7-25(12)15-8-14(20)9-21-10-15)16(26)4-5-19(13-2-3-13)17(27)22-18(28)23-19/h8-10,12-13H,2-7,11H2,1H3,(H2,22,23,27,28)/t12-,19?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 389.43 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121449120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).