5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione

C21H25ClN6O5S — CID 23133587

About 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione (PubChem CID 23133587) has the molecular formula C21H25ClN6O5S and a molecular weight of 508.99 g/mol. Its IUPAC name is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione
• PubChem CID: 23133587
• Molecular Formula: C21H25ClN6O5S
• Molecular Weight: 508.99 g/mol
• Exact Mass: 508.13
• IUPAC Name: 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione
• SMILES: O=C1NC(=O)C(CCCc2ncccn2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1
• InChI: InChI=1S/C21H25ClN6O5S/c22-15-4-5-18(25-13-15)33-16-6-11-28(12-7-16)34(31,32)14-21(19(29)26-20(30)27-21)8-1-3-17-23-9-2-10-24-17/h2,4-5,9-10,13,16H,1,3,6-8,11-12,14H2,(H2,26,27,29,30)
• InChIKey: FHJJKZGBVFRCLY-UHFFFAOYSA-N
• XLogP: 1.30
• TPSA: 143.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.99
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione?

The IUPAC name of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione (CID 23133587) is 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione is O=C1NC(=O)C(CCCc2ncccn2)(CS(=O)(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)N1.

What is the InChIKey of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione?

The InChIKey is FHJJKZGBVFRCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O5S/c22-15-4-5-18(25-13-15)33-16-6-11-28(12-7-16)34(31,32)14-21(19(29)26-20(30)27-21)8-1-3-17-23-9-2-10-24-17/h2,4-5,9-10,13,16H,1,3,6-8,11-12,14H2,(H2,26,27,29,30).

What are the key properties of 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione?

5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione has a molecular weight of 508.99 g/mol, XLogP of 1.30, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylmethyl]-5-(3-pyrimidin-2-ylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 23133587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).