[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone

C24H26FNO2 — CID 169173584

IUPAC[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone
SMILESCc1ccccc1-c1cccc(C[C@H]2CC3(CC3)CN2C(=O)C2CCO2)c1F
InChIInChI=1S/C24H26FNO2/c1-16-5-2-3-7-19(16)20-8-4-6-17(22(20)25)13-18-14-24(10-11-24)15-26(18)23(27)21-9-12-28-21/h2-8,18,21H,9-15H2,1H3/t18-,21?/m0/s1
InChIKeyNWDMIVSRXLGGEG-YMXDCFFPSA-N
MW379.48 g/mol
LogP4.51
Rot. Bonds4

About [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone

[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone (PubChem CID 169173584) has the molecular formula C24H26FNO2 and a molecular weight of 379.48 g/mol. Its IUPAC name is [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone
PubChem CID169173584
Molecular FormulaC24H26FNO2
Molecular Weight379.48 g/mol
Exact Mass379.19
IUPAC Name[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone
SMILESCc1ccccc1-c1cccc(C[C@H]2CC3(CC3)CN2C(=O)C2CCO2)c1F
InChIInChI=1S/C24H26FNO2/c1-16-5-2-3-7-19(16)20-8-4-6-17(22(20)25)13-18-14-24(10-11-24)15-26(18)23(27)21-9-12-28-21/h2-8,18,21H,9-15H2,1H3/t18-,21?/m0/s1
InChIKeyNWDMIVSRXLGGEG-YMXDCFFPSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-4,4-difluoro-2-[[2-fluoro-3-(2-fluoro-3-methylphenyl)phenyl]methyl]-3-methylpyrrolidin-1-yl]-[(2R)-oxetan-2-yl]methanone
CID 155044711
N-[(6S,7S)-6-[[3-(2,3-difluorophenyl)-2-fluorophenyl]methyl]-5-(oxetane-2-carbonyl)-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036590
N-[(6S,7S)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-[(2S)-oxetane-2-carbonyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 162749652
N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine
CID 169173689
(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169173555
N-[(2S,3S)-2-[[3-(2,3-difluorophenyl)-2-fluorophenyl]methyl]-4,4-difluoro-1-[(2S)-oxetane-2-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 154617133
1-fluoro-N-[(6S,7S)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-[(2R)-oxetane-2-carbonyl]-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 162749678
N-[(2S,3R)-4,4-difluoro-2-[[2-fluoro-3-(2,3,4-trifluorophenyl)phenyl]methyl]-1-(oxetane-2-carbonyl)pyrrolidin-3-yl]ethanesulfinamide
CID 155044157
ethane;[3-(ethylsulfanylamino)-4,4-difluoro-2-[[2-fluoro-3-(4-fluoro-3-methylphenyl)phenyl]methyl]pyrrolidin-1-yl]-(oxetan-2-yl)methanone
CID 154665150
N-[(6S,7S)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-[(2R)-oxetane-2-carbonyl]-5-azaspiro[2.4]heptan-7-yl]ethanesulfonamide
CID 162749641
N-[(2S,3R,4S)-2-[[3-(3-chloro-2-fluorophenyl)-2-fluorophenyl]methyl]-4-fluoro-1-(oxetane-2-carbonyl)pyrrolidin-3-yl]ethanesulfonamide
CID 154617576
N-[(2S,3R,4S)-4-fluoro-2-[[2-fluoro-3-(3-methylphenyl)phenyl]methyl]-1-(oxetane-2-carbonyl)pyrrolidin-3-yl]cyclopropanesulfonamide
CID 154617111

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone?
The IUPAC name of [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone (CID 169173584) is [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone.
What is the SMILES notation for [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone?
The canonical SMILES for [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone is Cc1ccccc1-c1cccc(C[C@H]2CC3(CC3)CN2C(=O)C2CCO2)c1F.
What is the InChIKey of [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone?
The InChIKey is NWDMIVSRXLGGEG-YMXDCFFPSA-N. The full InChI is InChI=1S/C24H26FNO2/c1-16-5-2-3-7-19(16)20-8-4-6-17(22(20)25)13-18-14-24(10-11-24)15-26(18)23(27)21-9-12-28-21/h2-8,18,21H,9-15H2,1H3/t18-,21?/m0/s1.
What are the key properties of [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone?
[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone has a molecular weight of 379.48 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone is sourced from PubChem (CID 169173584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).