8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

C253H315F10N55O22S — CID 160656322

IUPAC8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CC(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CS(C)(=O)=O)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1=O.CN1Cc2c(cccc2-c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)C1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC(=O)N(C)C)C1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(C)n1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(NCC(N)=O)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H32N6O2.C28H30N6O2.C27H34F3N5O2.C26H34N6O2.C25H32F3N5O2.C25H33FN6O2.C23H31N7O2.C23H29N5O2.C23H30N4O3S.C22H29N5O.C2HF3O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-16-30-25(31-17-21)22-10-7-11-23-24(22)18-34(3)26(23)36;1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-19-15-22(27(28,29)30)31-16-21(19)34-18-25(35(24(34)37)17-23(36)32(2)3)11-13-26(14-12-25,33(4)5)20-9-7-6-8-10-20;1-29(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(34)28-25)21-9-10-22(27-17-21)31-16-15-30(3)23(33)18-31;1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34;1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19;1-16-25-13-18(20(27-16)26-14-19(24)31)30-15-22(28-21(30)32)9-11-23(12-10-22,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(30)26-22)19-15-25-13-8-17(19)14-20(24)29;1-26(2)23(19-7-5-4-6-8-19)12-10-22(11-13-23)17-27(21(28)25-22)20-15-24-14-9-18(20)16-31(3,29)30;1-16-19(14-23-17(2)24-16)27-15-21(25-20(27)28)10-12-22(13-11-21,26(3)4)18-8-6-5-7-9-18;3-2(4,5)1(6)7/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,32,37);3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);6-10,15-16H,11-14,17-18H2,1-5H3;4-10,17H,11-16,18-19H2,1-3H3,(H,28,34);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);4-7,16H,8-15,17H2,1-3H3,(H,29,33);4-8,13H,9-12,14-15H2,1-3H3,(H2,24,31)(H,28,32)(H,25,26,27);3-8,13,15H,9-12,14,16H2,1-2H3,(H2,24,29)(H,26,30);4-9,14-15H,10-13,16-17H2,1-3H3,(H,25,28);5-9,14H,10-13,15H2,1-4H3,(H,25,28);(H,6,7)
InChIKeyBQKHIJXKYPBJRC-UHFFFAOYSA-N
MW4700.71 g/mol
LogP33.11
Rot. Bonds46

About 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid

8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 160656322) has the molecular formula C253H315F10N55O22S and a molecular weight of 4700.71 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID160656322
Molecular FormulaC253H315F10N55O22S
Molecular Weight4700.71 g/mol
Exact Mass4697.48
IUPAC Name8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CC(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CS(C)(=O)=O)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1=O.CN1Cc2c(cccc2-c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)C1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC(=O)N(C)C)C1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(C)n1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(NCC(N)=O)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C29H32N6O2.C28H30N6O2.C27H34F3N5O2.C26H34N6O2.C25H32F3N5O2.C25H33FN6O2.C23H31N7O2.C23H29N5O2.C23H30N4O3S.C22H29N5O.C2HF3O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-16-30-25(31-17-21)22-10-7-11-23-24(22)18-34(3)26(23)36;1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-19-15-22(27(28,29)30)31-16-21(19)34-18-25(35(24(34)37)17-23(36)32(2)3)11-13-26(14-12-25,33(4)5)20-9-7-6-8-10-20;1-29(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(34)28-25)21-9-10-22(27-17-21)31-16-15-30(3)23(33)18-31;1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34;1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19;1-16-25-13-18(20(27-16)26-14-19(24)31)30-15-22(28-21(30)32)9-11-23(12-10-22,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(30)26-22)19-15-25-13-8-17(19)14-20(24)29;1-26(2)23(19-7-5-4-6-8-19)12-10-22(11-13-23)17-27(21(28)25-22)20-15-24-14-9-18(20)16-31(3,29)30;1-16-19(14-23-17(2)24-16)27-15-21(25-20(27)28)10-12-22(13-11-21,26(3)4)18-8-6-5-7-9-18;3-2(4,5)1(6)7/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,32,37);3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);6-10,15-16H,11-14,17-18H2,1-5H3;4-10,17H,11-16,18-19H2,1-3H3,(H,28,34);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);4-7,16H,8-15,17H2,1-3H3,(H,29,33);4-8,13H,9-12,14-15H2,1-3H3,(H2,24,31)(H,28,32)(H,25,26,27);3-8,13,15H,9-12,14,16H2,1-2H3,(H2,24,29)(H,26,30);4-9,14-15H,10-13,16-17H2,1-3H3,(H,25,28);5-9,14H,10-13,15H2,1-4H3,(H,25,28);(H,6,7)
InChIKeyBQKHIJXKYPBJRC-UHFFFAOYSA-N
XLogP33.11
TPSA839.22 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds46
Heavy Atoms341
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004700.71
LogP ≤ 533.11
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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What is the IUPAC name of 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid (CID 160656322) is 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CNC4=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CC(N)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1CS(C)(=O)=O)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1C(F)(F)F.CN1CCN(c2ccc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)CC1=O.CN1Cc2c(cccc2-c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)C1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)N(CC(=O)N(C)C)C1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(F)cc3)(N(C)C)CC2)NC1=O.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(C)n1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c(NCC(N)=O)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is BQKHIJXKYPBJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C28H30N6O2.C27H34F3N5O2.C26H34N6O2.C25H32F3N5O2.C25H33FN6O2.C23H31N7O2.C23H29N5O2.C23H30N4O3S.C22H29N5O.C2HF3O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-16-30-25(31-17-21)22-10-7-11-23-24(22)18-34(3)26(23)36;1-33(2)28(19-7-4-3-5-8-19)13-11-27(12-14-28)18-34(26(36)32-27)20-15-29-24(30-16-20)21-9-6-10-22-23(21)17-31-25(22)35;1-19-15-22(27(28,29)30)31-16-21(19)34-18-25(35(24(34)37)17-23(36)32(2)3)11-13-26(14-12-25,33(4)5)20-9-7-6-8-10-20;1-29(2)26(20-7-5-4-6-8-20)13-11-25(12-14-26)19-32(24(34)28-25)21-9-10-22(27-17-21)31-16-15-30(3)23(33)18-31;1-31(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-33(22(35)30-23)19-15-20(25(26,27)28)21(29-16-19)32(3)13-14-34;1-18-21(16-27-22(28-18)31-12-14-34-15-13-31)32-17-24(29-23(32)33)8-10-25(11-9-24,30(2)3)19-4-6-20(26)7-5-19;1-16-25-13-18(20(27-16)26-14-19(24)31)30-15-22(28-21(30)32)9-11-23(12-10-22,29(2)3)17-7-5-4-6-8-17;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(30)26-22)19-15-25-13-8-17(19)14-20(24)29;1-26(2)23(19-7-5-4-6-8-19)12-10-22(11-13-23)17-27(21(28)25-22)20-15-24-14-9-18(20)16-31(3,29)30;1-16-19(14-23-17(2)24-16)27-15-21(25-20(27)28)10-12-22(13-11-21,26(3)4)18-8-6-5-7-9-18;3-2(4,5)1(6)7/h4-11,16-17H,12-15,18-19H2,1-3H3,(H,32,37);3-10,15-16H,11-14,17-18H2,1-2H3,(H,31,35)(H,32,36);6-10,15-16H,11-14,17-18H2,1-5H3;4-10,17H,11-16,18-19H2,1-3H3,(H,28,34);4-8,15-16,34H,9-14,17H2,1-3H3,(H,30,35);4-7,16H,8-15,17H2,1-3H3,(H,29,33);4-8,13H,9-12,14-15H2,1-3H3,(H2,24,31)(H,28,32)(H,25,26,27);3-8,13,15H,9-12,14,16H2,1-2H3,(H2,24,29)(H,26,30);4-9,14-15H,10-13,16-17H2,1-3H3,(H,25,28);5-9,14H,10-13,15H2,1-4H3,(H,25,28);(H,6,7).
What are the key properties of 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid?
8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 4700.71 g/mol, XLogP of 33.11, 46 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(2,4-dimethylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(4-fluorophenyl)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(2-methyl-1-oxo-3H-isoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(4-methyl-3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-(methylsulfonylmethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N,N-dimethylacetamide;8-(dimethylamino)-3-[2-(1-oxo-2,3-dihydroisoindol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;2-[[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-methylpyrimidin-4-yl]amino]acetamide;2-[3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-pyridinyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160656322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).