3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide

C238H288Cl2F22N52O15S2 — CID 159402195

IUPAC3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCN(C(=O)C1CC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN(CCO)c1ncc2cc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccc2n1.CNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1.Cc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)n(C)n1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H34N8O2.C27H34N6O2.C25H32N6O2.C24H26F6N4O.C24H29F3N4O2.C23H31ClN6O2S.C23H24F6N4O.C23H26F4N4O.C21H24ClF3N4OS.C21H28N6O/c1-19-15-22(34(5)31-19)23(36)33(4)24-28-16-21(17-29-24)35-18-26(30-25(35)37)11-13-27(14-12-26,32(2)3)20-9-7-6-8-10-20;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-9-10-23-20(17-22)18-28-24(29-23)32(3)15-16-34;1-29(2)25(19-7-5-4-6-8-19)13-11-24(12-14-25)17-31(23(33)28-24)20-15-26-22(27-16-20)30(3)21(32)18-9-10-18;1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27;1-16-12-20(24(25,26)27)28-14-19(16)31-15-22(29-21(31)32)8-10-23(11-9-22,30(2)3)17-6-5-7-18(13-17)33-4;1-16-17(14-25-20(26-16)29-10-12-32-13-11-29)30-15-22(27-21(30)31)6-8-23(9-7-22,28(2)3)18-4-5-19(24)33-18;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26;1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16;1-13-10-15(21(23,24)25)26-11-14(13)29-12-19(27-18(29)30)6-8-20(9-7-19,28(2)3)16-4-5-17(22)31-16;1-22-18-23-13-17(14-24-18)27-15-20(25-19(27)28)9-11-21(12-10-20,26(2)3)16-7-5-4-6-8-16/h6-10,15-17H,11-14,18H2,1-5H3,(H,30,37);4-10,17-18,34H,11-16,19H2,1-3H3,(H,30,35);4-8,15-16,18H,9-14,17H2,1-3H3,(H,28,33);4-6,11-13H,7-10,14H2,1-3H3,(H,32,35);5-7,12-14H,8-11,15H2,1-4H3,(H,29,32);4-5,14H,6-13,15H2,1-3H3,(H,27,31);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13H,7-10,14H2,1-3H3,(H,29,32);4-5,10-11H,6-9,12H2,1-3H3,(H,27,30);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,22,23,24)
InChIKeyLNMDKHZFXXUBSI-UHFFFAOYSA-N
MW4670.27 g/mol
LogP42.19
Rot. Bonds40

About 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide

3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 159402195) has the molecular formula C238H288Cl2F22N52O15S2 and a molecular weight of 4670.27 g/mol. Its IUPAC name is 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID159402195
Molecular FormulaC238H288Cl2F22N52O15S2
Molecular Weight4670.27 g/mol
Exact Mass4666.18
IUPAC Name3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCN(C(=O)C1CC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN(CCO)c1ncc2cc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccc2n1.CNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1.Cc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)n(C)n1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H34N8O2.C27H34N6O2.C25H32N6O2.C24H26F6N4O.C24H29F3N4O2.C23H31ClN6O2S.C23H24F6N4O.C23H26F4N4O.C21H24ClF3N4OS.C21H28N6O/c1-19-15-22(34(5)31-19)23(36)33(4)24-28-16-21(17-29-24)35-18-26(30-25(35)37)11-13-27(14-12-26,32(2)3)20-9-7-6-8-10-20;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-9-10-23-20(17-22)18-28-24(29-23)32(3)15-16-34;1-29(2)25(19-7-5-4-6-8-19)13-11-24(12-14-25)17-31(23(33)28-24)20-15-26-22(27-16-20)30(3)21(32)18-9-10-18;1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27;1-16-12-20(24(25,26)27)28-14-19(16)31-15-22(29-21(31)32)8-10-23(11-9-22,30(2)3)17-6-5-7-18(13-17)33-4;1-16-17(14-25-20(26-16)29-10-12-32-13-11-29)30-15-22(27-21(30)31)6-8-23(9-7-22,28(2)3)18-4-5-19(24)33-18;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26;1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16;1-13-10-15(21(23,24)25)26-11-14(13)29-12-19(27-18(29)30)6-8-20(9-7-19,28(2)3)16-4-5-17(22)31-16;1-22-18-23-13-17(14-24-18)27-15-20(25-19(27)28)9-11-21(12-10-20,26(2)3)16-7-5-4-6-8-16/h6-10,15-17H,11-14,18H2,1-5H3,(H,30,37);4-10,17-18,34H,11-16,19H2,1-3H3,(H,30,35);4-8,15-16,18H,9-14,17H2,1-3H3,(H,28,33);4-6,11-13H,7-10,14H2,1-3H3,(H,32,35);5-7,12-14H,8-11,15H2,1-4H3,(H,29,32);4-5,14H,6-13,15H2,1-3H3,(H,27,31);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13H,7-10,14H2,1-3H3,(H,29,32);4-5,10-11H,6-9,12H2,1-3H3,(H,27,30);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,22,23,24)
InChIKeyLNMDKHZFXXUBSI-UHFFFAOYSA-N
XLogP42.19
TPSA664.79 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds40
Heavy Atoms331
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004670.27
LogP ≤ 542.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

Analyze 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide with MolForge

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What is the IUPAC name of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 159402195) is 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide is CN(C(=O)C1CC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN(CCO)c1ncc2cc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)ccc2n1.CNc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1cccc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1.Cc1cc(C(=O)N(C)c2ncc(N3CC4(CCC(c5ccccc5)(N(C)C)CC4)NC3=O)cn2)n(C)n1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(C(F)(F)F)c3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(F)c3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3ccc(Cl)s3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is LNMDKHZFXXUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O2.C27H34N6O2.C25H32N6O2.C24H26F6N4O.C24H29F3N4O2.C23H31ClN6O2S.C23H24F6N4O.C23H26F4N4O.C21H24ClF3N4OS.C21H28N6O/c1-19-15-22(34(5)31-19)23(36)33(4)24-28-16-21(17-29-24)35-18-26(30-25(35)37)11-13-27(14-12-26,32(2)3)20-9-7-6-8-10-20;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-9-10-23-20(17-22)18-28-24(29-23)32(3)15-16-34;1-29(2)25(19-7-5-4-6-8-19)13-11-24(12-14-25)17-31(23(33)28-24)20-15-26-22(27-16-20)30(3)21(32)18-9-10-18;1-15-11-19(24(28,29)30)31-13-18(15)34-14-21(32-20(34)35)7-9-22(10-8-21,33(2)3)16-5-4-6-17(12-16)23(25,26)27;1-16-12-20(24(25,26)27)28-14-19(16)31-15-22(29-21(31)32)8-10-23(11-9-22,30(2)3)17-6-5-7-18(13-17)33-4;1-16-17(14-25-20(26-16)29-10-12-32-13-11-29)30-15-22(27-21(30)31)6-8-23(9-7-22,28(2)3)18-4-5-19(24)33-18;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)17-13-30-18(23(27,28)29)12-16(17)22(24,25)26;1-15-11-19(23(25,26)27)28-13-18(15)31-14-21(29-20(31)32)7-9-22(10-8-21,30(2)3)16-5-4-6-17(24)12-16;1-13-10-15(21(23,24)25)26-11-14(13)29-12-19(27-18(29)30)6-8-20(9-7-19,28(2)3)16-4-5-17(22)31-16;1-22-18-23-13-17(14-24-18)27-15-20(25-19(27)28)9-11-21(12-10-20,26(2)3)16-7-5-4-6-8-16/h6-10,15-17H,11-14,18H2,1-5H3,(H,30,37);4-10,17-18,34H,11-16,19H2,1-3H3,(H,30,35);4-8,15-16,18H,9-14,17H2,1-3H3,(H,28,33);4-6,11-13H,7-10,14H2,1-3H3,(H,32,35);5-7,12-14H,8-11,15H2,1-4H3,(H,29,32);4-5,14H,6-13,15H2,1-3H3,(H,27,31);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13H,7-10,14H2,1-3H3,(H,29,32);4-5,10-11H,6-9,12H2,1-3H3,(H,27,30);4-8,13-14H,9-12,15H2,1-3H3,(H,25,28)(H,22,23,24).
What are the key properties of 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide?
3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 4670.27 g/mol, XLogP of 42.19, 40 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-bis(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;8-(5-chlorothiophen-2-yl)-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]quinazolin-6-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-methoxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylamino)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-[3-(trifluoromethyl)phenyl]-1,3-diazaspiro[4.5]decan-2-one;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N-methylcyclopropanecarboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 159402195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).