methyl (1'R,3S)-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 58379971

IUPACmethyl (1'R,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@]12CCc1ccc(OCc3ccc(-c4cc(C)ncc4F)c([C@@H]4CCCC4(C)C)c3)cc12
InChIInChI=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
InChIKeyWGSLJLKCZBURLV-HJRZCVLXSA-N
MW527.68 g/mol
LogP7.84
Rot. Bonds6

About methyl (1'R,3S)-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,3S)-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 58379971) has the molecular formula C34H38FNO3 and a molecular weight of 527.68 g/mol. Its IUPAC name is methyl (1'R,3S)-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 Namemethyl (1'R,3S)-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 CID58379971
Molecular FormulaC34H38FNO3
Molecular Weight527.68 g/mol
Exact Mass527.28
IUPAC Namemethyl (1'R,3S)-5-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methyl-4-pyridinyl)phenyl]methoxy]spiro[1,2-dihydroindene-3,2'-cyclobutane]-1'-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@]12CCc1ccc(OCc3ccc(-c4cc(C)ncc4F)c([C@@H]4CCCC4(C)C)c3)cc12
InChIInChI=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
InChIKeyWGSLJLKCZBURLV-HJRZCVLXSA-N
XLogP7.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.68
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S)-5-(3-{4-[5-(trifluoromethyl)pyridin-2-yl]phenoxy}propoxy)-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110444
2-[(1S)-5-{3-[4-(pyridin-3-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110439
2-[(1S)-5-{3-[4-(4-methoxypyridin-3-yl)phenoxy]propoxy}-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 16110440
(2S,3R)-3-cyclopropyl-3-[2-fluoro-3-[[(1R)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
CID 155528372
(2S,3R)-3-cyclopropyl-3-[3-[[(1R)-5-(5-fluoro-2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-2-methylpropanoic acid
CID 155565379
3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)phenyl)propanoic acid
CID 11155087
3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butoxy)-2-methylphenyl)propanoic acid
CID 11178006
3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoromethyl)phenoxy)butoxy)phenyl)propanoic acid
CID 11409173
ethyl 1-(methylnitroso)-3-phenyl-6-[2-(pyridin-2-yl)ethoxy]-1H-indene-2-carboxylate
CID 11553704
3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoromethyl)phenoxy)butoxy)phenyl)propanoic acid
CID 44439633
(3S)-3-cyclopropyl-3-[3-[[3-(5,5-dimethylcyclopenten-1-yl)-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]propanoic acid
CID 57705806
(3S)-3-cyclopropyl-3-[3-[[3-[(1R)-2,2-dimethylcyclopentyl]-4-(5-fluoro-2-methoxy-4-pyridinyl)phenyl]methoxy]phenyl]propanoic acid
CID 57706227

Frequently Asked Questions

What is the IUPAC name of methyl (1'R,3S)-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,3S)-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 58379971) is methyl (1'R,3S)-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,3S)-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,3S)-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,3S)-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-HJRZCVLXSA-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,3S)-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,3S)-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,3S)-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 58379971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).