5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

C25H24N2O6S — CID 67121953

About 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one

5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 67121953) has the molecular formula C25H24N2O6S and a molecular weight of 480.54 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

• Compound Name: 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
• PubChem CID: 67121953
• Molecular Formula: C25H24N2O6S
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.14
• IUPAC Name: 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
• SMILES: COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)c(C)n1
• InChI: InChI=1S/C25H24N2O6S/c1-15-20(12-13-25(26-15)31-2)33-21-5-3-4-18-19(21)10-11-22(18)32-17-8-6-16(7-9-17)23-14-24(28)27-34(23,29)30/h3-9,12-13,22-23H,10-11,14H2,1-2H3,(H,27,28)/t22-,23?/m1/s1
• InChIKey: OITNLJAOKYPZAW-WTQRLHSKSA-N
• XLogP: 4.15
• TPSA: 103.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?

The IUPAC name of 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one (CID 67121953) is 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one.

What is the SMILES notation for 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?

The canonical SMILES for 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is COc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)c(C)n1.

What is the InChIKey of 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?

The InChIKey is OITNLJAOKYPZAW-WTQRLHSKSA-N. The full InChI is InChI=1S/C25H24N2O6S/c1-15-20(12-13-25(26-15)31-2)33-21-5-3-4-18-19(21)10-11-22(18)32-17-8-6-16(7-9-17)23-14-24(28)27-34(23,29)30/h3-9,12-13,22-23H,10-11,14H2,1-2H3,(H,27,28)/t22-,23?/m1/s1.

What are the key properties of 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one?

5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 480.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[(1R)-4-[(6-methoxy-2-methyl-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 67121953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).