6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

C32H26F2N2O6 — CID 135361085

About 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde

6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 135361085) has the molecular formula C32H26F2N2O6 and a molecular weight of 572.56 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

• Compound Name: 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• PubChem CID: 135361085
• Molecular Formula: C32H26F2N2O6
• Molecular Weight: 572.56 g/mol
• Exact Mass: 572.18
• IUPAC Name: 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
• SMILES: COc1nc(O[C@@H]2c3cccc(-c4cccc5c4C[C@H](F)[C@@H]5Oc4ccc(C=O)c(OC)n4)c3C[C@@H]2F)ccc1C=O
• InChI: InChI=1S/C32H26F2N2O6/c1-39-31-17(15-37)9-11-27(35-31)41-29-21-7-3-5-19(23(21)13-25(29)33)20-6-4-8-22-24(20)14-26(34)30(22)42-28-12-10-18(16-38)32(36-28)40-2/h3-12,15-16,25-26,29-30H,13-14H2,1-2H3/t25-,26-,29+,30+/m0/s1
• InChIKey: QIAYMFOWYWMWOF-SRPPIYJJSA-N
• XLogP: 5.81
• TPSA: 96.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.56
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The IUPAC name of 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde (CID 135361085) is 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde.

What is the SMILES notation for 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The canonical SMILES for 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(O[C@@H]2c3cccc(-c4cccc5c4C[C@H](F)[C@@H]5Oc4ccc(C=O)c(OC)n4)c3C[C@@H]2F)ccc1C=O.

What is the InChIKey of 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

The InChIKey is QIAYMFOWYWMWOF-SRPPIYJJSA-N. The full InChI is InChI=1S/C32H26F2N2O6/c1-39-31-17(15-37)9-11-27(35-31)41-29-21-7-3-5-19(23(21)13-25(29)33)20-6-4-8-22-24(20)14-26(34)30(22)42-28-12-10-18(16-38)32(36-28)40-2/h3-12,15-16,25-26,29-30H,13-14H2,1-2H3/t25-,26-,29+,30+/m0/s1.

What are the key properties of 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde?

6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 572.56 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 135361085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).