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

C20H26FN5O3 — CID 121437963

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

5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437963) has the molecular formula C20H26FN5O3 and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
• PubChem CID: 121437963
• Molecular Formula: C20H26FN5O3
• Molecular Weight: 403.46 g/mol
• Exact Mass: 403.20
• IUPAC Name: 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione
• SMILES: CC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1
• InChI: InChI=1S/C20H26FN5O3/c1-12(8-20(14-3-4-14)18(28)23-19(29)24-20)17(27)25-5-6-26(13(2)11-25)16-7-15(21)9-22-10-16/h7,9-10,12-14H,3-6,8,11H2,1-2H3,(H2,23,24,28,29)/t12?,13-,20?/m0/s1
• InChIKey: JUXBSVOXEBCMKE-BTTAGBNVSA-N
• XLogP: 1.27
• TPSA: 94.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.46
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-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-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione (CID 121437963) is 5-cyclopropyl-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-cyclopropyl-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-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione is CC(CC1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2cncc(F)c2)[C@@H](C)C1.

What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?

The InChIKey is JUXBSVOXEBCMKE-BTTAGBNVSA-N. The full InChI is InChI=1S/C20H26FN5O3/c1-12(8-20(14-3-4-14)18(28)23-19(29)24-20)17(27)25-5-6-26(13(2)11-25)16-7-15(21)9-22-10-16/h7,9-10,12-14H,3-6,8,11H2,1-2H3,(H2,23,24,28,29)/t12?,13-,20?/m0/s1.

What are the key properties of 5-cyclopropyl-5-[3-[(3S)-4-(5-fluoro-3-pyridinyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]imidazolidine-2,4-dione?

5-cyclopropyl-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 403.46 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-cyclopropyl-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 121437963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).