5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione

C28H19Cl2FN4O4 — CID 156587560

IUPAC5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)
InChIKeyKIJKUSPNZALBLD-UHFFFAOYSA-N
MW565.39 g/mol
LogP4.98
Rot. Bonds6

About 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione

5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione (PubChem CID 156587560) has the molecular formula C28H19Cl2FN4O4 and a molecular weight of 565.39 g/mol. Its IUPAC name is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione
PubChem CID156587560
Molecular FormulaC28H19Cl2FN4O4
Molecular Weight565.39 g/mol
Exact Mass564.08
IUPAC Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione
SMILESCn1cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]c1=O
InChIInChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38)
InChIKeyKIJKUSPNZALBLD-UHFFFAOYSA-N
XLogP4.98
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione (CID 156587560) is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione is Cn1cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]c1=O.
What is the InChIKey of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is KIJKUSPNZALBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19Cl2FN4O4/c1-34-14-21(26(36)33-28(34)38)18-9-20(27(37)35(13-18)19-6-4-8-32-12-19)17-10-23(30)25(31)24(11-17)39-15-16-5-2-3-7-22(16)29/h2-14H,15H2,1H3,(H,33,36,38).
What are the key properties of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione?
5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 565.39 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 156587560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).