4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine

C32H38FNO2 — CID 143977506

About 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine

4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine (PubChem CID 143977506) has the molecular formula C32H38FNO2 and a molecular weight of 487.66 g/mol. Its IUPAC name is 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine.

Molecular Properties

• Compound Name: 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine
• PubChem CID: 143977506
• Molecular Formula: C32H38FNO2
• Molecular Weight: 487.66 g/mol
• Exact Mass: 487.29
• IUPAC Name: 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine
• SMILES: CCCC1CCc2ccc(OCc3ccc(-c4cc(OC)ncc4F)c(C4CCCC4(C)C)c3)cc21
• InChI: InChI=1S/C32H38FNO2/c1-5-7-22-10-11-23-12-13-24(17-26(22)23)36-20-21-9-14-25(28-18-31(35-4)34-19-30(28)33)27(16-21)29-8-6-15-32(29,2)3/h9,12-14,16-19,22,29H,5-8,10-11,15,20H2,1-4H3
• InChIKey: YLNQUDXGFQPVBM-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 31.35 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.66
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine?

The IUPAC name of 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine (CID 143977506) is 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine.

What is the SMILES notation for 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine?

The canonical SMILES for 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine is CCCC1CCc2ccc(OCc3ccc(-c4cc(OC)ncc4F)c(C4CCCC4(C)C)c3)cc21.

What is the InChIKey of 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine?

The InChIKey is YLNQUDXGFQPVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38FNO2/c1-5-7-22-10-11-23-12-13-24(17-26(22)23)36-20-21-9-14-25(28-18-31(35-4)34-19-30(28)33)27(16-21)29-8-6-15-32(29,2)3/h9,12-14,16-19,22,29H,5-8,10-11,15,20H2,1-4H3.

What are the key properties of 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine?

4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine has a molecular weight of 487.66 g/mol, XLogP of 8.60, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(2,2-dimethylcyclopentyl)-4-[(3-propyl-2,3-dihydro-1H-inden-5-yl)oxymethyl]phenyl]-5-fluoro-2-methoxypyridine is sourced from PubChem (CID 143977506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).