(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide

C24H24F4N2O — CID 169173555

IUPAC(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC1(F)CC1)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2cc(F)cc(F)c2)c1F
InChIInChI=1S/C24H24F4N2O/c25-17-8-16(9-18(26)11-17)20-3-1-2-15(21(20)27)10-19-12-23(4-5-23)14-30(19)22(31)29-13-24(28)6-7-24/h1-3,8-9,11,19H,4-7,10,12-14H2,(H,29,31)/t19-/m0/s1
InChIKeyACKFHSWMDSHJCJ-IBGZPJMESA-N
MW432.46 g/mol
LogP5.38
Rot. Bonds5

About (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide

(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide (PubChem CID 169173555) has the molecular formula C24H24F4N2O and a molecular weight of 432.46 g/mol. Its IUPAC name is (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide.

Molecular Properties

Compound Name(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
PubChem CID169173555
Molecular FormulaC24H24F4N2O
Molecular Weight432.46 g/mol
Exact Mass432.18
IUPAC Name(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide
SMILESO=C(NCC1(F)CC1)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2cc(F)cc(F)c2)c1F
InChIInChI=1S/C24H24F4N2O/c25-17-8-16(9-18(26)11-17)20-3-1-2-15(21(20)27)10-19-12-23(4-5-23)14-30(19)22(31)29-13-24(28)6-7-24/h1-3,8-9,11,19H,4-7,10,12-14H2,(H,29,31)/t19-/m0/s1
InChIKeyACKFHSWMDSHJCJ-IBGZPJMESA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.46
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1-[(6R)-6-[(2-fluoro-3-phenylphenyl)methyl]-5-azaspiro[2.4]heptan-5-yl]ethenamine
CID 169173689
(1R,3R,4R,5S)-4-(cyclopropylsulfonylamino)-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-2-azabicyclo[3.1.0]hexane-2-carboxamide
CID 178179875
[(6R)-6-[[2-fluoro-3-(2-methylphenyl)phenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]-(oxetan-2-yl)methanone
CID 169173584
(1S,4R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-ethyl-4-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107587
(1S,3R,5S)-1-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-ethyl-3-methyl-7-oxo-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
CID 166107705
N-[6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-(2-methylpropanoyl)-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036771
N-[6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-propanoyl-5-azaspiro[2.4]heptan-7-yl]methanesulfonamide
CID 169036401
(6S,7S)-7-(difluoromethylsulfonylamino)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(2R)-1,1-difluoropropan-2-yl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 169036752
1-[7-(difluoromethylsulfanylamino)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-azaspiro[2.4]heptan-5-yl]propan-1-one
CID 169173491
N-[(6S,7S)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-5-(2-hydroxy-2-methylpropanoyl)-5-azaspiro[2.4]heptan-7-yl]cyclopropanesulfonamide
CID 162749693
N-[(1S,3S,4S,6S)-2-(bicyclo[1.1.1]pentane-1-carbonyl)-3-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-2-azabicyclo[4.1.0]heptan-4-yl]methanesulfonamide
CID 170553396
1-[6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-7-(fluoromethylsulfanylamino)-5-azaspiro[2.4]heptan-5-yl]-3-fluoropropan-1-one
CID 169173682

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The IUPAC name of (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide (CID 169173555) is (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide.
What is the SMILES notation for (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The canonical SMILES for (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide is O=C(NCC1(F)CC1)N1CC2(CC2)C[C@@H]1Cc1cccc(-c2cc(F)cc(F)c2)c1F.
What is the InChIKey of (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
The InChIKey is ACKFHSWMDSHJCJ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24F4N2O/c25-17-8-16(9-18(26)11-17)20-3-1-2-15(21(20)27)10-19-12-23(4-5-23)14-30(19)22(31)29-13-24(28)6-7-24/h1-3,8-9,11,19H,4-7,10,12-14H2,(H,29,31)/t19-/m0/s1.
What are the key properties of (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide?
(6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide has a molecular weight of 432.46 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[3-(3,5-difluorophenyl)-2-fluorophenyl]methyl]-N-[(1-fluorocyclopropyl)methyl]-5-azaspiro[2.4]heptane-5-carboxamide is sourced from PubChem (CID 169173555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).