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

C27H17Cl2FN4O4 — CID 155926655

IUPAC5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37)
InChIKeyFBYZCSUBKCAJAK-UHFFFAOYSA-N
MW551.36 g/mol
LogP4.97
Rot. Bonds6

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

5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (PubChem CID 155926655) has the molecular formula C27H17Cl2FN4O4 and a molecular weight of 551.36 g/mol. Its IUPAC name is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
PubChem CID155926655
Molecular FormulaC27H17Cl2FN4O4
Molecular Weight551.36 g/mol
Exact Mass550.06
IUPAC Name5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1
InChIInChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37)
InChIKeyFBYZCSUBKCAJAK-UHFFFAOYSA-N
XLogP4.97
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.36
LogP ≤ 54.97
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]-4-fluorophenyl]-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]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione (CID 155926655) is 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-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]-4-fluorophenyl]-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]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(-c3cc(Cl)c(F)c(OCc4ccccc4Cl)c3)c(=O)n(-c3cccnc3)c2)c(=O)[nH]1.
What is the InChIKey of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FBYZCSUBKCAJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2FN4O4/c28-21-6-2-1-4-15(21)14-38-23-10-16(9-22(29)24(23)30)19-8-17(20-12-32-27(37)33-25(20)35)13-34(26(19)36)18-5-3-7-31-11-18/h1-13H,14H2,(H2,32,33,35,37).
What are the key properties of 5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione?
5-[5-[3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 551.36 g/mol, XLogP of 4.97, 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]-4-fluorophenyl]-6-oxo-1-pyridin-3-yl-3-pyridinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 155926655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).