5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one

C192H175Cl3F15N17O25 — CID 161312992

IUPAC5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4cccc(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4C(F)(F)F)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(OC(F)(F)F)cc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H25ClN2O3.C25H23F3N2O4.C24H22Cl2N2O3.3C24H21F3N2O3.C23H20F3N3O3.C23H22N2O3/c1-16-11-12-25(2,24(31)27-16)28-15-19-13-17(6-10-22(19)23(28)30)5-9-21(29)14-18-3-7-20(26)8-4-18;1-15-11-12-24(2,23(33)29-15)30-14-18-13-16(3-9-20(18)22(30)32)4-10-21(31)17-5-7-19(8-6-17)34-25(26,27)28;1-14-9-10-24(2,23(31)27-14)28-13-17-11-15(3-6-18(17)22(28)30)4-8-21(29)16-5-7-19(25)20(26)12-16;1-14-2-10-20(22(31)28-14)29-13-17-12-15(3-9-19(17)23(29)32)4-11-21(30)16-5-7-18(8-6-16)24(25,26)27;1-14-5-9-20(22(31)28-14)29-13-17-11-15(6-8-19(17)23(29)32)7-10-21(30)16-3-2-4-18(12-16)24(25,26)27;1-14-6-10-20(22(31)28-14)29-13-16-12-15(7-9-17(16)23(29)32)8-11-21(30)18-4-2-3-5-19(18)24(25,26)27;1-13-2-7-18(21(31)28-13)29-12-16-10-14(3-6-17(16)22(29)32)4-8-19(30)15-5-9-20(27-11-15)23(24,25)26;1-15-7-11-20(22(27)24-15)25-14-18-13-16(8-10-19(18)23(25)28)9-12-21(26)17-5-3-2-4-6-17/h3-4,6-8,10,13H,1,5,9,11-12,14-15H2,2H3,(H,27,31);3,5-9,13H,1,4,10-12,14H2,2H3,(H,29,33);3,5-7,11-12H,1,4,8-10,13H2,2H3,(H,27,31);3,5-9,12,20H,1-2,4,10-11,13H2,(H,28,31);2-4,6,8,11-12,20H,1,5,7,9-10,13H2,(H,28,31);2-5,7,9,12,20H,1,6,8,10-11,13H2,(H,28,31);3,5-6,9-11,18H,1-2,4,7-8,12H2,(H,28,31);2-6,8,10,13,20H,1,7,9,11-12,14H2,(H,24,27)/t25-;2*24-;;;;;/m000...../s1
InChIKeyVJDCXHCCELXZHH-WPJAEMCSSA-N
MW3511.93 g/mol
LogP33.43
Rot. Bonds42

About 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one

5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one (PubChem CID 161312992) has the molecular formula C192H175Cl3F15N17O25 and a molecular weight of 3511.93 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one
PubChem CID161312992
Molecular FormulaC192H175Cl3F15N17O25
Molecular Weight3511.93 g/mol
Exact Mass3508.18
IUPAC Name5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one
SMILESC=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4cccc(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4C(F)(F)F)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(OC(F)(F)F)cc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C25H25ClN2O3.C25H23F3N2O4.C24H22Cl2N2O3.3C24H21F3N2O3.C23H20F3N3O3.C23H22N2O3/c1-16-11-12-25(2,24(31)27-16)28-15-19-13-17(6-10-22(19)23(28)30)5-9-21(29)14-18-3-7-20(26)8-4-18;1-15-11-12-24(2,23(33)29-15)30-14-18-13-16(3-9-20(18)22(30)32)4-10-21(31)17-5-7-19(8-6-17)34-25(26,27)28;1-14-9-10-24(2,23(31)27-14)28-13-17-11-15(3-6-18(17)22(28)30)4-8-21(29)16-5-7-19(25)20(26)12-16;1-14-2-10-20(22(31)28-14)29-13-17-12-15(3-9-19(17)23(29)32)4-11-21(30)16-5-7-18(8-6-16)24(25,26)27;1-14-5-9-20(22(31)28-14)29-13-17-11-15(6-8-19(17)23(29)32)7-10-21(30)16-3-2-4-18(12-16)24(25,26)27;1-14-6-10-20(22(31)28-14)29-13-16-12-15(7-9-17(16)23(29)32)8-11-21(30)18-4-2-3-5-19(18)24(25,26)27;1-13-2-7-18(21(31)28-13)29-12-16-10-14(3-6-17(16)22(29)32)4-8-19(30)15-5-9-20(27-11-15)23(24,25)26;1-15-7-11-20(22(27)24-15)25-14-18-13-16(8-10-19(18)23(25)28)9-12-21(26)17-5-3-2-4-6-17/h3-4,6-8,10,13H,1,5,9,11-12,14-15H2,2H3,(H,27,31);3,5-9,13H,1,4,10-12,14H2,2H3,(H,29,33);3,5-7,11-12H,1,4,8-10,13H2,2H3,(H,27,31);3,5-9,12,20H,1-2,4,10-11,13H2,(H,28,31);2-4,6,8,11-12,20H,1,5,7,9-10,13H2,(H,28,31);2-5,7,9,12,20H,1,6,8,10-11,13H2,(H,28,31);3,5-6,9-11,18H,1-2,4,7-8,12H2,(H,28,31);2-6,8,10,13,20H,1,7,9,11-12,14H2,(H,24,27)/t25-;2*24-;;;;;/m000...../s1
InChIKeyVJDCXHCCELXZHH-WPJAEMCSSA-N
XLogP33.43
TPSA553.96 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds42
Heavy Atoms252
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003511.93
LogP ≤ 533.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one with MolForge

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Related Compounds

5-[4-(aminomethyl)phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-3H-isoindol-1-one;6-chloro-3-oxo-2-[(4-phenoxyphenyl)methyl]-1H-isoindole-4-carbonitrile;2-[(4-chlorophenyl)methyl]-7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-3H-isoindol-1-one;5-[3-[(dimethylamino)methyl]phenyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;5-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]-2-[(4-phenoxyphenyl)methyl]-3H-isoindol-1-one;7-methyl-5-[(1-phenylethylamino)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 159070543
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-7-chloro-2-[(4-chlorophenyl)methyl]-3H-isoindol-1-one;5-(4-benzylpiperazine-1-carbonyl)-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-[3-(dimethylamino)pyrrolidin-1-yl]-3H-isoindol-1-one;7-chloro-2-[(4-chlorophenyl)methyl]-5-(4-methylpiperazin-1-yl)-3H-isoindol-1-one;5-chloro-2-[(4-ethylphenyl)methyl]-7-(trifluoromethyl)-3H-isoindol-1-one;7-chloro-5-(1,2,3,6-tetrahydropyridin-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one;7-methyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 160456748
5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;5-[3-(4-fluorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]isoindole-1,3-dione;5-[3-(furan-2-yl)-3-oxopropyl]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxooctyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-(4-methylphenyl)-3-oxopropyl]isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-2-ylpropyl)isoindole-1,3-dione;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-(3-oxo-3-pyridin-4-ylpropyl)isoindole-1,3-dione
CID 160819230
[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
CID 160879541
CID 161581142
CID 161581142
CID 161712106
CID 161712106
(3-Chlorophenyl)-[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3-dimethylphenyl)methanone;(4-fluorophenyl)-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-phenylmethanone;[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 165074931
6-[(5-chloro-1,3-dihydroisoindol-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(2-methylmorpholin-4-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one;6-[(3-phenylpyrrolidin-1-yl)methyl]-2-propan-2-yl-4-(trifluoromethyl)-3H-isoindol-1-one
CID 167562932
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methylphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(6-chloro-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;1-[4-(2,2-dimethylpyrrolidine-1-carbonyl)piperidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(pyrrolidine-1-carbonyl)piperidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 167578606
6-[(2-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(3-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-chlorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2,6-difluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(2-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[(4-methylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2-(trifluoromethyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
CID 173271540

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one?
The IUPAC name of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one (CID 161312992) is 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one.
What is the SMILES notation for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one?
The canonical SMILES for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one is C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)cc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccc(C(F)(F)F)nc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4cccc(C(F)(F)F)c4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4)ccc3C2=O)C(=O)N1.C=C1CCC(N2Cc3cc(CCC(=O)c4ccccc4C(F)(F)F)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)Cc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(Cl)c(Cl)c4)ccc3C2=O)C(=O)N1.C=C1CC[C@](C)(N2Cc3cc(CCC(=O)c4ccc(OC(F)(F)F)cc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one?
The InChIKey is VJDCXHCCELXZHH-WPJAEMCSSA-N. The full InChI is InChI=1S/C25H25ClN2O3.C25H23F3N2O4.C24H22Cl2N2O3.3C24H21F3N2O3.C23H20F3N3O3.C23H22N2O3/c1-16-11-12-25(2,24(31)27-16)28-15-19-13-17(6-10-22(19)23(28)30)5-9-21(29)14-18-3-7-20(26)8-4-18;1-15-11-12-24(2,23(33)29-15)30-14-18-13-16(3-9-20(18)22(30)32)4-10-21(31)17-5-7-19(8-6-17)34-25(26,27)28;1-14-9-10-24(2,23(31)27-14)28-13-17-11-15(3-6-18(17)22(28)30)4-8-21(29)16-5-7-19(25)20(26)12-16;1-14-2-10-20(22(31)28-14)29-13-17-12-15(3-9-19(17)23(29)32)4-11-21(30)16-5-7-18(8-6-16)24(25,26)27;1-14-5-9-20(22(31)28-14)29-13-17-11-15(6-8-19(17)23(29)32)7-10-21(30)16-3-2-4-18(12-16)24(25,26)27;1-14-6-10-20(22(31)28-14)29-13-16-12-15(7-9-17(16)23(29)32)8-11-21(30)18-4-2-3-5-19(18)24(25,26)27;1-13-2-7-18(21(31)28-13)29-12-16-10-14(3-6-17(16)22(29)32)4-8-19(30)15-5-9-20(27-11-15)23(24,25)26;1-15-7-11-20(22(27)24-15)25-14-18-13-16(8-10-19(18)23(25)28)9-12-21(26)17-5-3-2-4-6-17/h3-4,6-8,10,13H,1,5,9,11-12,14-15H2,2H3,(H,27,31);3,5-9,13H,1,4,10-12,14H2,2H3,(H,29,33);3,5-7,11-12H,1,4,8-10,13H2,2H3,(H,27,31);3,5-9,12,20H,1-2,4,10-11,13H2,(H,28,31);2-4,6,8,11-12,20H,1,5,7,9-10,13H2,(H,28,31);2-5,7,9,12,20H,1,6,8,10-11,13H2,(H,28,31);3,5-6,9-11,18H,1-2,4,7-8,12H2,(H,28,31);2-6,8,10,13,20H,1,7,9,11-12,14H2,(H,24,27)/t25-;2*24-;;;;;/m000...../s1.
What are the key properties of 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one?
5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one has a molecular weight of 3511.93 g/mol, XLogP of 33.43, 42 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)-3-oxobutyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;5-[3-(3,4-dichlorophenyl)-3-oxopropyl]-2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-(3-oxo-3-phenylpropyl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[2-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[3-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[4-(trifluoromethyl)phenyl]propyl]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-5-[3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propyl]-3H-isoindol-1-one;2-[(3S)-3-methyl-6-methylidene-2-oxopiperidin-3-yl]-5-[3-oxo-3-[4-(trifluoromethoxy)phenyl]propyl]-3H-isoindol-1-one is sourced from PubChem (CID 161312992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).