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

C30H30FNO5S — CID 157323550

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

6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 157323550) has the molecular formula C30H30FNO5S and a molecular weight of 535.64 g/mol. Its IUPAC name is 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

• Compound Name: 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
• PubChem CID: 157323550
• Molecular Formula: C30H30FNO5S
• Molecular Weight: 535.64 g/mol
• Exact Mass: 535.18
• IUPAC Name: 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione
• SMILES: Cc1ccc(Cc2c(C)c(=O)oc3c(-c4cccc(CS(C)(=O)=O)c4C)c(C)n(C4CC4)c(=O)c23)c(F)c1
• InChI: InChI=1S/C30H30FNO5S/c1-16-9-10-20(25(31)13-16)14-24-18(3)30(34)37-28-26(19(4)32(22-11-12-22)29(33)27(24)28)23-8-6-7-21(17(23)2)15-38(5,35)36/h6-10,13,22H,11-12,14-15H2,1-5H3
• InChIKey: FCPTZWMIGIGKFL-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 86.35 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.64
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione (CID 157323550) is 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione.

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

The canonical SMILES for 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is Cc1ccc(Cc2c(C)c(=O)oc3c(-c4cccc(CS(C)(=O)=O)c4C)c(C)n(C4CC4)c(=O)c23)c(F)c1.

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

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

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

6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-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 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-4-[(2-fluoro-4-methylphenyl)methyl]-3,7-dimethyl-8-[2-methyl-3-(methylsulfonylmethyl)phenyl]pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 157323550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).