8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten

C85H83BrF3IN3O14W- — CID 161058331

About 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten

8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten (PubChem CID 161058331) has the molecular formula C85H83BrF3IN3O14W- and a molecular weight of 1818.25 g/mol. Its IUPAC name is 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten.

Molecular Properties

• Compound Name: 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten
• PubChem CID: 161058331
• Molecular Formula: C85H83BrF3IN3O14W-
• Molecular Weight: 1818.25 g/mol
• Exact Mass: 1816.36
• IUPAC Name: 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten
• SMILES: CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccccc4F)c(C)c(=O)oc23)c1.Cc1c(Cc2ccccc2F)c2c(=O)n(C3CCOCC3)c(C)c(Br)c2oc1=O.[CH3-].[W]
• InChI: InChI=1S/C31H29FINO5.C31H30FNO5.C22H21BrFNO4.CH3.W/c1-17(35)13-20-5-4-6-22(14-20)27-19(3)34(24-9-11-38-12-10-24)30(36)28-25(18(2)31(37)39-29(27)28)15-21-7-8-23(33)16-26(21)32;1-18(34)15-21-7-6-9-23(16-21)27-20(3)33(24-11-13-37-14-12-24)30(35)28-25(19(2)31(36)38-29(27)28)17-22-8-4-5-10-26(22)32;1-12-16(11-14-5-3-4-6-17(14)24)18-20(29-22(12)27)19(23)13(2)25(21(18)26)15-7-9-28-10-8-15;;/h4-8,14,16,24H,9-13,15H2,1-3H3;4-10,16,24H,11-15,17H2,1-3H3;3-6,15H,7-11H2,1-2H3;1H3;/q;;;-1
• InChIKey: XWZNALZKRFNTAR-UHFFFAOYSA-N
• XLogP: 16.37
• TPSA: 218.46 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1818.25
LogP ≤ 5	16.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten?

The IUPAC name of 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten (CID 161058331) is 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten.

What is the SMILES notation for 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten?

The canonical SMILES for 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten is CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccc(I)cc4F)c(C)c(=O)oc23)c1.CC(=O)Cc1cccc(-c2c(C)n(C3CCOCC3)c(=O)c3c(Cc4ccccc4F)c(C)c(=O)oc23)c1.Cc1c(Cc2ccccc2F)c2c(=O)n(C3CCOCC3)c(C)c(Br)c2oc1=O.[CH3-].[W].

What is the InChIKey of 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten?

The InChIKey is XWZNALZKRFNTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29FINO5.C31H30FNO5.C22H21BrFNO4.CH3.W/c1-17(35)13-20-5-4-6-22(14-20)27-19(3)34(24-9-11-38-12-10-24)30(36)28-25(18(2)31(37)39-29(27)28)15-21-7-8-23(33)16-26(21)32;1-18(34)15-21-7-6-9-23(16-21)27-20(3)33(24-11-13-37-14-12-24)30(35)28-25(19(2)31(36)38-29(27)28)17-22-8-4-5-10-26(22)32;1-12-16(11-14-5-3-4-6-17(14)24)18-20(29-22(12)27)19(23)13(2)25(21(18)26)15-7-9-28-10-8-15;;/h4-8,14,16,24H,9-13,15H2,1-3H3;4-10,16,24H,11-15,17H2,1-3H3;3-6,15H,7-11H2,1-2H3;1H3;/q;;;-1;.

What are the key properties of 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten?

8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten has a molecular weight of 1818.25 g/mol, XLogP of 16.37, 15 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)pyrano[3,2-c]pyridine-2,5-dione;carbanide;4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;4-[(2-fluorophenyl)methyl]-3,7-dimethyl-6-(oxan-4-yl)-8-[3-(2-oxopropyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione;tungsten is sourced from PubChem (CID 161058331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).