6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine

C27H25FIN3O5S — CID 146888905

About 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine

6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine (PubChem CID 146888905) has the molecular formula C27H25FIN3O5S and a molecular weight of 649.48 g/mol. Its IUPAC name is 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine.

Molecular Properties

• Compound Name: 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine
• PubChem CID: 146888905
• Molecular Formula: C27H25FIN3O5S
• Molecular Weight: 649.48 g/mol
• Exact Mass: 649.05
• IUPAC Name: 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine
• SMILES: Cc1c(Cc2ccc(I)cc2F)c2c(=O)n(C3CC3)c(C)c(-c3cccc(CNS(N)(=O)=O)c3)c2oc1=O
• InChI: InChI=1S/C27H25FIN3O5S/c1-14-21(11-17-6-7-19(29)12-22(17)28)24-25(37-27(14)34)23(15(2)32(26(24)33)20-8-9-20)18-5-3-4-16(10-18)13-31-38(30,35)36/h3-7,10,12,20,31H,8-9,11,13H2,1-2H3,(H2,30,35,36)
• InChIKey: SYIWYNQARPNAJU-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 124.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	649.48
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine?

The IUPAC name of 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine (CID 146888905) is 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine.

What is the SMILES notation for 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine?

The canonical SMILES for 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine is Cc1c(Cc2ccc(I)cc2F)c2c(=O)n(C3CC3)c(C)c(-c3cccc(CNS(N)(=O)=O)c3)c2oc1=O.

What is the InChIKey of 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine?

The InChIKey is SYIWYNQARPNAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FIN3O5S/c1-14-21(11-17-6-7-19(29)12-22(17)28)24-25(37-27(14)34)23(15(2)32(26(24)33)20-8-9-20)18-5-3-4-16(10-18)13-31-38(30,35)36/h3-7,10,12,20,31H,8-9,11,13H2,1-2H3,(H2,30,35,36).

What are the key properties of 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine?

6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine has a molecular weight of 649.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethyl-2,5-dioxo-8-[3-[(sulfamoylamino)methyl]phenyl]pyrano[3,2-c]pyridine is sourced from PubChem (CID 146888905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).