1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one

C244H295F15N56O16S2 — CID 159604120

IUPAC1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O.CN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(-c3cccs3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cc[nH]c(=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnnc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]cc(F)c3c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3c(ccn3C)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncc3[nH]ccc13)C(=O)N2
InChIInChI=1S/C28H36F4N6O2.C25H31F4N5O3S.C25H28N6O2.C24H30F4N6O2.C24H33FN6O2.C24H28FN5OS.C24H27N7O.C24H29N5O.C23H26FN5O.C23H27N5O/c1-34(2)24(39)17-38-23(15-22(33-38)28(30,31)32)36-18-26(37(25(36)40)16-19-8-9-19)10-12-27(13-11-26,35(3)4)20-6-5-7-21(29)14-20;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-32(22(35)33(23)15-17-7-8-17)21-14-20(25(27,28)29)30-34(21)38(3,36)37;1-30(2)25(19-6-4-3-5-7-19)11-9-24(10-12-25)17-31(23(33)29-24)20-15-27-22(28-16-20)18-8-13-26-21(32)14-18;1-31(2)20(35)14-34-19(13-18(30-34)24(26,27)28)33-15-22(29-21(33)36)8-10-23(11-9-22,32(3)4)16-6-5-7-17(25)12-16;1-28(2)24(18-5-4-6-19(25)15-18)9-7-23(8-10-24)17-31(22(32)26-23)21-16-20(27-29(21)3)30-11-13-33-14-12-30;1-28(2)24(17-6-4-7-18(25)14-17)11-9-23(10-12-24)16-30(22(31)26-23)21-15-19(27-29(21)3)20-8-5-13-32-20;1-30(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)17-31(22(32)29-23)20-15-25-21(26-16-20)18-8-13-27-28-14-18;1-27(2)24(19-7-5-4-6-8-19)12-10-23(11-13-24)17-29(22(30)26-23)20-15-18-9-14-28(3)21(18)25-16-20;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)15-29(21(30)27-22)17-12-18-19(24)14-26-20(18)25-13-17;1-27(2)23(17-6-4-3-5-7-17)11-9-22(10-12-23)16-28(21(29)26-22)20-15-24-14-19-18(20)8-13-25-19/h5-7,14-15,19H,8-13,16-18H2,1-4H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-8,13-16H,9-12,17H2,1-2H3,(H,26,32)(H,29,33);5-7,12-13H,8-11,14-15H2,1-4H3,(H,29,36);4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-8,13-16H,9-12,17H2,1-2H3,(H,29,32);4-9,14-16H,10-13,17H2,1-3H3,(H,26,30);3-7,12-14H,8-11,15H2,1-2H3,(H,25,26)(H,27,30);3-8,13-15,25H,9-12,16H2,1-2H3,(H,26,29)
InChIKeyMLVYBWUSOOBDQZ-UHFFFAOYSA-N
MW4617.52 g/mol
LogP37.63
Rot. Bonds43

About 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one

1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159604120) has the molecular formula C244H295F15N56O16S2 and a molecular weight of 4617.52 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one
PubChem CID159604120
Molecular FormulaC244H295F15N56O16S2
Molecular Weight4617.52 g/mol
Exact Mass4614.32
IUPAC Name1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O.CN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(-c3cccs3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cc[nH]c(=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnnc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]cc(F)c3c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3c(ccn3C)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncc3[nH]ccc13)C(=O)N2
InChIInChI=1S/C28H36F4N6O2.C25H31F4N5O3S.C25H28N6O2.C24H30F4N6O2.C24H33FN6O2.C24H28FN5OS.C24H27N7O.C24H29N5O.C23H26FN5O.C23H27N5O/c1-34(2)24(39)17-38-23(15-22(33-38)28(30,31)32)36-18-26(37(25(36)40)16-19-8-9-19)10-12-27(13-11-26,35(3)4)20-6-5-7-21(29)14-20;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-32(22(35)33(23)15-17-7-8-17)21-14-20(25(27,28)29)30-34(21)38(3,36)37;1-30(2)25(19-6-4-3-5-7-19)11-9-24(10-12-25)17-31(23(33)29-24)20-15-27-22(28-16-20)18-8-13-26-21(32)14-18;1-31(2)20(35)14-34-19(13-18(30-34)24(26,27)28)33-15-22(29-21(33)36)8-10-23(11-9-22,32(3)4)16-6-5-7-17(25)12-16;1-28(2)24(18-5-4-6-19(25)15-18)9-7-23(8-10-24)17-31(22(32)26-23)21-16-20(27-29(21)3)30-11-13-33-14-12-30;1-28(2)24(17-6-4-7-18(25)14-17)11-9-23(10-12-24)16-30(22(31)26-23)21-15-19(27-29(21)3)20-8-5-13-32-20;1-30(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)17-31(22(32)29-23)20-15-25-21(26-16-20)18-8-13-27-28-14-18;1-27(2)24(19-7-5-4-6-8-19)12-10-23(11-13-24)17-29(22(30)26-23)20-15-18-9-14-28(3)21(18)25-16-20;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)15-29(21(30)27-22)17-12-18-19(24)14-26-20(18)25-13-17;1-27(2)23(17-6-4-3-5-7-17)11-9-22(10-12-23)16-28(21(29)26-22)20-15-24-14-19-18(20)8-13-25-19/h5-7,14-15,19H,8-13,16-18H2,1-4H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-8,13-16H,9-12,17H2,1-2H3,(H,26,32)(H,29,33);5-7,12-13H,8-11,14-15H2,1-4H3,(H,29,36);4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-8,13-16H,9-12,17H2,1-2H3,(H,29,32);4-9,14-16H,10-13,17H2,1-3H3,(H,26,30);3-7,12-14H,8-11,15H2,1-2H3,(H,25,26)(H,27,30);3-8,13-15,25H,9-12,16H2,1-2H3,(H,26,29)
InChIKeyMLVYBWUSOOBDQZ-UHFFFAOYSA-N
XLogP37.63
TPSA699.93 Ų
H-Bond Donors11
H-Bond Acceptors48
Rotatable Bonds43
Heavy Atoms333
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004617.52
LogP ≤ 537.63
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1048

Analyze 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one with MolForge

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What is the IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one (CID 159604120) is 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one is CN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)N(CC2CC2)C1=O.CN(C)C(=O)Cn1nc(C(F)(F)F)cc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(-c3cccs3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1S(C)(=O)=O)C(=O)N2CC1CC1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cc[nH]c(=O)c3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3ccnnc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]cc(F)c3c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3c(ccn3C)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cncc3[nH]ccc13)C(=O)N2.
What is the InChIKey of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is MLVYBWUSOOBDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F4N6O2.C25H31F4N5O3S.C25H28N6O2.C24H30F4N6O2.C24H33FN6O2.C24H28FN5OS.C24H27N7O.C24H29N5O.C23H26FN5O.C23H27N5O/c1-34(2)24(39)17-38-23(15-22(33-38)28(30,31)32)36-18-26(37(25(36)40)16-19-8-9-19)10-12-27(13-11-26,35(3)4)20-6-5-7-21(29)14-20;1-31(2)24(18-5-4-6-19(26)13-18)11-9-23(10-12-24)16-32(22(35)33(23)15-17-7-8-17)21-14-20(25(27,28)29)30-34(21)38(3,36)37;1-30(2)25(19-6-4-3-5-7-19)11-9-24(10-12-25)17-31(23(33)29-24)20-15-27-22(28-16-20)18-8-13-26-21(32)14-18;1-31(2)20(35)14-34-19(13-18(30-34)24(26,27)28)33-15-22(29-21(33)36)8-10-23(11-9-22,32(3)4)16-6-5-7-17(25)12-16;1-28(2)24(18-5-4-6-19(25)15-18)9-7-23(8-10-24)17-31(22(32)26-23)21-16-20(27-29(21)3)30-11-13-33-14-12-30;1-28(2)24(17-6-4-7-18(25)14-17)11-9-23(10-12-24)16-30(22(31)26-23)21-15-19(27-29(21)3)20-8-5-13-32-20;1-30(2)24(19-6-4-3-5-7-19)11-9-23(10-12-24)17-31(22(32)29-23)20-15-25-21(26-16-20)18-8-13-27-28-14-18;1-27(2)24(19-7-5-4-6-8-19)12-10-23(11-13-24)17-29(22(30)26-23)20-15-18-9-14-28(3)21(18)25-16-20;1-28(2)23(16-6-4-3-5-7-16)10-8-22(9-11-23)15-29(21(30)27-22)17-12-18-19(24)14-26-20(18)25-13-17;1-27(2)23(17-6-4-3-5-7-17)11-9-22(10-12-23)16-28(21(29)26-22)20-15-24-14-19-18(20)8-13-25-19/h5-7,14-15,19H,8-13,16-18H2,1-4H3;4-6,13-14,17H,7-12,15-16H2,1-3H3;3-8,13-16H,9-12,17H2,1-2H3,(H,26,32)(H,29,33);5-7,12-13H,8-11,14-15H2,1-4H3,(H,29,36);4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-8,13-16H,9-12,17H2,1-2H3,(H,29,32);4-9,14-16H,10-13,17H2,1-3H3,(H,26,30);3-7,12-14H,8-11,15H2,1-2H3,(H,25,26)(H,27,30);3-8,13-15,25H,9-12,16H2,1-2H3,(H,26,29).
What are the key properties of 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one?
1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 4617.52 g/mol, XLogP of 37.63, 43 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methylsulfonyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;2-[5-[1-(cyclopropylmethyl)-8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-morpholin-4-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)-1,3-diazaspiro[4.5]decan-2-one;2-[5-[8-(dimethylamino)-8-(3-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-3-(trifluoromethyl)pyrazol-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-oxo-1H-pyridin-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(2-pyridazin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-c]pyridin-4-yl)-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159604120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).