6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione

C30H30FNO5S — CID 153492078

About 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione

6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 153492078) has the molecular formula C30H30FNO5S and a molecular weight of 535.64 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
• PubChem CID: 153492078
• Molecular Formula: C30H30FNO5S
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.18
• IUPAC Name: 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
• SMILES: CCc1c(Cc2ccccc2F)c2c(=O)n(C3CC3)c(C)c(-c3cccc(CS(C)(=O)=O)c3C)c2oc1=O
• InChI: InChI=1S/C30H30FNO5S/c1-5-22-24(15-19-9-6-7-12-25(19)31)27-28(37-30(22)34)26(18(3)32(29(27)33)21-13-14-21)23-11-8-10-20(17(23)2)16-38(4,35)36/h6-12,21H,5,13-16H2,1-4H3
• InChIKey: WXPHZWJLDRKCQE-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 86.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?

The IUPAC name of 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (CID 153492078) is 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

What is the SMILES notation for 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?

The canonical SMILES for 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is CCc1c(Cc2ccccc2F)c2c(=O)n(C3CC3)c(C)c(-c3cccc(CS(C)(=O)=O)c3C)c2oc1=O.

What is the InChIKey of 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?

The InChIKey is WXPHZWJLDRKCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FNO5S/c1-5-22-24(15-19-9-6-7-12-25(19)31)27-28(37-30(22)34)26(18(3)32(29(27)33)21-13-14-21)23-11-8-10-20(17(23)2)16-38(4,35)36/h6-12,21H,5,13-16H2,1-4H3.

What are the key properties of 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione?

6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 535.64 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-ethyl-4-[(2-fluorophenyl)methyl]-7-methyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 153492078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).