6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione

C26H15F2NO4S — CID 59240912

IUPAC6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1cccc(F)c1
InChIInChI=1S/C26H15F2NO4S/c27-16-8-4-10-18(12-16)29-20(15-6-2-1-3-7-15)14-21-22(25(29)31)23(30)24(26(32)33-21)34-19-11-5-9-17(28)13-19/h1-14,30H
InChIKeyVRDGHCYLKVXRKT-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.75
Rot. Bonds4

About 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione

6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59240912) has the molecular formula C26H15F2NO4S and a molecular weight of 475.47 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59240912
Molecular FormulaC26H15F2NO4S
Molecular Weight475.47 g/mol
Exact Mass475.07
IUPAC Name6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESO=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1cccc(F)c1
InChIInChI=1S/C26H15F2NO4S/c27-16-8-4-10-18(12-16)29-20(15-6-2-1-3-7-15)14-21-22(25(29)31)23(30)24(26(32)33-21)34-19-11-5-9-17(28)13-19/h1-14,30H
InChIKeyVRDGHCYLKVXRKT-UHFFFAOYSA-N
XLogP5.75
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59240912) is 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione is O=c1oc2cc(-c3ccccc3)n(-c3cccc(F)c3)c(=O)c2c(O)c1Sc1cccc(F)c1.
What is the InChIKey of 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is VRDGHCYLKVXRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15F2NO4S/c27-16-8-4-10-18(12-16)29-20(15-6-2-1-3-7-15)14-21-22(25(29)31)23(30)24(26(32)33-21)34-19-11-5-9-17(28)13-19/h1-14,30H.
What are the key properties of 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 475.47 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-3-(3-fluorophenyl)sulfanyl-4-hydroxy-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59240912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).