3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione

C111H77BrClF3N4O19S4 — CID 159010766

About 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione

3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (PubChem CID 159010766) has the molecular formula C111H77BrClF3N4O19S4 and a molecular weight of 2071.46 g/mol. Its IUPAC name is 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

• Compound Name: 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
• PubChem CID: 159010766
• Molecular Formula: C111H77BrClF3N4O19S4
• Molecular Weight: 2071.46 g/mol
• Exact Mass: 2068.29
• IUPAC Name: 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione
• SMILES: COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4cccc(F)c4)c(O)c3c2=O)c1.COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4ccccc4Br)c(O)c3c2=O)c1.COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4ccccc4F)c(O)c3c2=O)c1.Cc1c(-c2ccccc2)n(-c2cccc(F)c2)c(=O)c2c(O)c(Sc3ccc(Cl)cc3)c(=O)oc12
• InChI: InChI=1S/C28H20BrNO5S.2C28H20FNO5S.C27H17ClFNO4S/c1-16-23(17-9-4-3-5-10-17)30(18-11-8-12-19(15-18)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-14-7-6-13-20(21)29;1-16-23(17-8-4-3-5-9-17)30(19-11-7-12-20(15-19)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-13-6-10-18(29)14-21;1-16-23(17-9-4-3-5-10-17)30(18-11-8-12-19(15-18)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-14-7-6-13-20(21)29;1-15-22(16-6-3-2-4-7-16)30(19-9-5-8-18(29)14-19)26(32)21-23(31)25(27(33)34-24(15)21)35-20-12-10-17(28)11-13-20/h3*3-15,31H,1-2H3;2-14,31H,1H3
• InChIKey: JSLMXLHDTSZBFN-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 317.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2071.46
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?

The IUPAC name of 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione (CID 159010766) is 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione.

What is the SMILES notation for 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?

The canonical SMILES for 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4cccc(F)c4)c(O)c3c2=O)c1.COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4ccccc4Br)c(O)c3c2=O)c1.COc1cccc(-n2c(-c3ccccc3)c(C)c3oc(=O)c(Sc4ccccc4F)c(O)c3c2=O)c1.Cc1c(-c2ccccc2)n(-c2cccc(F)c2)c(=O)c2c(O)c(Sc3ccc(Cl)cc3)c(=O)oc12.

What is the InChIKey of 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?

The InChIKey is JSLMXLHDTSZBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrNO5S.2C28H20FNO5S.C27H17ClFNO4S/c1-16-23(17-9-4-3-5-10-17)30(18-11-8-12-19(15-18)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-14-7-6-13-20(21)29;1-16-23(17-8-4-3-5-9-17)30(19-11-7-12-20(15-19)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-13-6-10-18(29)14-21;1-16-23(17-9-4-3-5-10-17)30(18-11-8-12-19(15-18)34-2)27(32)22-24(31)26(28(33)35-25(16)22)36-21-14-7-6-13-20(21)29;1-15-22(16-6-3-2-4-7-16)30(19-9-5-8-18(29)14-19)26(32)21-23(31)25(27(33)34-24(15)21)35-20-12-10-17(28)11-13-20/h3*3-15,31H,1-2H3;2-14,31H,1H3.

What are the key properties of 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione?

3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 2071.46 g/mol, XLogP of 24.96, 19 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-bromophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(4-chlorophenyl)sulfanyl-6-(3-fluorophenyl)-4-hydroxy-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(2-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione;3-(3-fluorophenyl)sulfanyl-4-hydroxy-6-(3-methoxyphenyl)-8-methyl-7-phenylpyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 159010766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).