methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate

C34H38FNO3 — CID 58380010

About methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate

methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate (PubChem CID 58380010) has the molecular formula C34H38FNO3 and a molecular weight of 527.68 g/mol. Its IUPAC name is methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate.

Molecular Properties

• Compound Name: methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
• PubChem CID: 58380010
• Molecular Formula: C34H38FNO3
• Molecular Weight: 527.68 g/mol
• Exact Mass: 527.28
• IUPAC Name: methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
• SMILES: COC(=O)[C@@H]1CC[C@@]12CCc1ccc(OCc3ccc(-c4cc(C)ncc4F)c([C@@H]4CCCC4(C)C)c3)cc12
• InChI: InChI=1S/C34H38FNO3/c1-21-16-27(31(35)19-36-21)25-10-7-22(17-26(25)28-6-5-13-33(28,2)3)20-39-24-9-8-23-11-14-34(30(23)18-24)15-12-29(34)32(37)38-4/h7-10,16-19,28-29H,5-6,11-15,20H2,1-4H3/t28-,29-,34-/m0/s1
• InChIKey: WGSLJLKCZBURLV-DMUKBKCISA-N
• XLogP: 7.84
• TPSA: 48.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.68
LogP ≤ 5	7.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?

The IUPAC name of methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate (CID 58380010) is methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate.

What is the SMILES notation for methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?

The canonical SMILES for methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate is COC(=O)[C@@H]1CC[C@@]12CCc1ccc(OCc3ccc(-c4cc(C)ncc4F)c([C@@H]4CCCC4(C)C)c3)cc12.

What is the InChIKey of methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?

The InChIKey is WGSLJLKCZBURLV-DMUKBKCISA-N. The full InChI is InChI=1S/C34H38FNO3/c1-21-16-27(31(35)19-36-21)25-10-7-22(17-26(25)28-6-5-13-33(28,2)3)20-39-24-9-8-23-11-14-34(30(23)18-24)15-12-29(34)32(37)38-4/h7-10,16-19,28-29H,5-6,11-15,20H2,1-4H3/t28-,29-,34-/m0/s1.

What are the key properties of methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate?

methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate has a molecular weight of 527.68 g/mol, XLogP of 7.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (1'R,3R)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate is sourced from PubChem (CID 58380010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).