5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione

C27H19Cl2FN4O5 — CID 155803135

About 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione

5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione (PubChem CID 155803135) has the molecular formula C27H19Cl2FN4O5 and a molecular weight of 569.38 g/mol. Its IUPAC name is 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione
• PubChem CID: 155803135
• Molecular Formula: C27H19Cl2FN4O5
• Molecular Weight: 569.38 g/mol
• Exact Mass: 568.07
• IUPAC Name: 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione
• SMILES: O=C1NCC(C2=CC(c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)C(=O)N(c3cccnc3)C2=O)C(=O)N1
• InChI: InChI=1S/C27H19Cl2FN4O5/c28-20-6-2-1-4-14(20)13-39-22-9-15(8-21(29)23(22)30)17-10-18(19-12-32-27(38)33-24(19)35)26(37)34(25(17)36)16-5-3-7-31-11-16/h1-11,17,19H,12-13H2,(H2,32,33,35,38)
• InChIKey: BTKQKBYTGRTCLQ-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 117.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.38
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?

The IUPAC name of 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione (CID 155803135) is 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione is O=C1NCC(C2=CC(c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)C(=O)N(c3cccnc3)C2=O)C(=O)N1.

What is the InChIKey of 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?

The InChIKey is BTKQKBYTGRTCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2FN4O5/c28-20-6-2-1-4-14(20)13-39-22-9-15(8-21(29)23(22)30)17-10-18(19-12-32-27(38)33-24(19)35)26(37)34(25(17)36)16-5-3-7-31-11-16/h1-11,17,19H,12-13H2,(H2,32,33,35,38).

What are the key properties of 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione?

5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione has a molecular weight of 569.38 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-2,6-dioxo-1-pyridin-3-yl-3H-pyridin-5-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155803135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).