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

C27H18FNO5S — CID 59241464

IUPAC6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n(-c4ccc(F)cc4)c(-c4ccccc4)cc3oc2=O)c1
InChIInChI=1S/C27H18FNO5S/c1-33-19-8-5-9-20(14-19)35-25-24(30)23-22(34-27(25)32)15-21(16-6-3-2-4-7-16)29(26(23)31)18-12-10-17(28)11-13-18/h2-15,30H,1H3
InChIKeyGTCOABZRHQFQKY-UHFFFAOYSA-N
MW487.51 g/mol
LogP5.62
Rot. Bonds5

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

6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 59241464) has the molecular formula C27H18FNO5S and a molecular weight of 487.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
PubChem CID59241464
Molecular FormulaC27H18FNO5S
Molecular Weight487.51 g/mol
Exact Mass487.09
IUPAC Name6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
SMILESCOc1cccc(Sc2c(O)c3c(=O)n(-c4ccc(F)cc4)c(-c4ccccc4)cc3oc2=O)c1
InChIInChI=1S/C27H18FNO5S/c1-33-19-8-5-9-20(14-19)35-25-24(30)23-22(34-27(25)32)15-21(16-6-3-2-4-7-16)29(26(23)31)18-12-10-17(28)11-13-18/h2-15,30H,1H3
InChIKeyGTCOABZRHQFQKY-UHFFFAOYSA-N
XLogP5.62
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.51
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 59241464) is 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is COc1cccc(Sc2c(O)c3c(=O)n(-c4ccc(F)cc4)c(-c4ccccc4)cc3oc2=O)c1.
What is the InChIKey of 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is GTCOABZRHQFQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18FNO5S/c1-33-19-8-5-9-20(14-19)35-25-24(30)23-22(34-27(25)32)15-21(16-6-3-2-4-7-16)29(26(23)31)18-12-10-17(28)11-13-18/h2-15,30H,1H3.
What are the key properties of 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?
6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 487.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-hydroxy-3-(3-methoxyphenyl)sulfanyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 59241464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).