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

C27H18Cl2N4O4 — CID 155803731

IUPAC5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C27H18Cl2N4O4/c28-19-8-17(9-21(11-19)37-15-16-4-1-2-6-24(16)29)22-10-18(23-13-31-27(36)32-25(23)34)14-33(26(22)35)20-5-3-7-30-12-20/h1-14H,15H2,(H2,31,32,34,36)
InChIKeyNFXZAFCZOMISJH-UHFFFAOYSA-N
MW533.37 g/mol
LogP4.83
Rot. Bonds6

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

5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (PubChem CID 155803731) has the molecular formula C27H18Cl2N4O4 and a molecular weight of 533.37 g/mol. Its IUPAC name is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
PubChem CID155803731
Molecular FormulaC27H18Cl2N4O4
Molecular Weight533.37 g/mol
Exact Mass532.07
IUPAC Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C27H18Cl2N4O4/c28-19-8-17(9-21(11-19)37-15-16-4-1-2-6-24(16)29)22-10-18(23-13-31-27(36)32-25(23)34)14-33(26(22)35)20-5-3-7-30-12-20/h1-14H,15H2,(H2,31,32,34,36)
InChIKeyNFXZAFCZOMISJH-UHFFFAOYSA-N
XLogP4.83
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (CID 155803731) is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(-c3cc(Cl)cc(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1.
What is the InChIKey of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NFXZAFCZOMISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18Cl2N4O4/c28-19-8-17(9-21(11-19)37-15-16-4-1-2-6-24(16)29)22-10-18(23-13-31-27(36)32-25(23)34)14-33(26(22)35)20-5-3-7-30-12-20/h1-14H,15H2,(H2,31,32,34,36).
What are the key properties of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 533.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]phenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155803731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).