8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C181H216F25N39O11S2 — CID 161118925

IUPAC8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(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(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC(F)(F)F.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CCC(F)(F)F.CNC1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2
InChIInChI=1S/C24H27F6N5O.C24H33FN6O2.C24H28FN5OS.C23H25F6N5O.C22H27F4N5O.C22H25F3N4O.C22H27FN4O3S.C20H24F3N5O/c1-33(2)22(17-6-4-3-5-7-17)10-8-21(9-11-22)16-34(20(36)35(21)13-12-23(25,26)27)18-14-31-19(32-15-18)24(28,29)30;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;1-32(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)14-33(19(35)34(20)15-22(24,25)26)17-12-30-18(31-13-17)23(27,28)29;1-4-31-18(13-17(28-31)22(24,25)26)30-14-20(27-19(30)32)8-10-21(11-9-20,29(2)3)15-6-5-7-16(23)12-15;1-15-12-18(22(23,24)25)27-13-17(15)29-14-20(28-19(29)30)8-10-21(26-2,11-9-20)16-6-4-3-5-7-16;1-26(2)22(16-5-4-6-17(23)13-16)10-8-21(9-11-22)15-27(20(28)25-21)18-14-24-12-7-19(18)31(3,29)30;1-24-19(14-6-4-3-5-7-14)10-8-18(9-11-19)13-28(17(29)25-18)16-12-15(20(21,22)23)26-27(16)2/h3-7,14-15H,8-13,16H2,1-2H3;4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-7,12-13H,8-11,14-15H2,1-2H3;5-7,12-13H,4,8-11,14H2,1-3H3,(H,27,32);3-7,12-13,26H,8-11,14H2,1-2H3,(H,28,30);4-7,12-14H,8-11,15H2,1-3H3,(H,25,28);3-7,12,24H,8-11,13H2,1-2H3,(H,25,29)
InChIKeyUKRQDRFICZYRSK-UHFFFAOYSA-N
MW3653.06 g/mol
LogP32.86
Rot. Bonds31

About 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161118925) has the molecular formula C181H216F25N39O11S2 and a molecular weight of 3653.06 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID161118925
Molecular FormulaC181H216F25N39O11S2
Molecular Weight3653.06 g/mol
Exact Mass3650.66
IUPAC Name8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCCn1nc(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(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC(F)(F)F.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CCC(F)(F)F.CNC1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2
InChIInChI=1S/C24H27F6N5O.C24H33FN6O2.C24H28FN5OS.C23H25F6N5O.C22H27F4N5O.C22H25F3N4O.C22H27FN4O3S.C20H24F3N5O/c1-33(2)22(17-6-4-3-5-7-17)10-8-21(9-11-22)16-34(20(36)35(21)13-12-23(25,26)27)18-14-31-19(32-15-18)24(28,29)30;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;1-32(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)14-33(19(35)34(20)15-22(24,25)26)17-12-30-18(31-13-17)23(27,28)29;1-4-31-18(13-17(28-31)22(24,25)26)30-14-20(27-19(30)32)8-10-21(11-9-20,29(2)3)15-6-5-7-16(23)12-15;1-15-12-18(22(23,24)25)27-13-17(15)29-14-20(28-19(29)30)8-10-21(26-2,11-9-20)16-6-4-3-5-7-16;1-26(2)22(16-5-4-6-17(23)13-16)10-8-21(9-11-22)15-27(20(28)25-21)18-14-24-12-7-19(18)31(3,29)30;1-24-19(14-6-4-3-5-7-14)10-8-18(9-11-19)13-28(17(29)25-18)16-12-15(20(21,22)23)26-27(16)2/h3-7,14-15H,8-13,16H2,1-2H3;4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-7,12-13H,8-11,14-15H2,1-2H3;5-7,12-13H,4,8-11,14H2,1-3H3,(H,27,32);3-7,12-13,26H,8-11,14H2,1-2H3,(H,28,30);4-7,12-14H,8-11,15H2,1-3H3,(H,25,28);3-7,12,24H,8-11,13H2,1-2H3,(H,25,29)
InChIKeyUKRQDRFICZYRSK-UHFFFAOYSA-N
XLogP32.86
TPSA479.87 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds31
Heavy Atoms258
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003653.06
LogP ≤ 532.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Analyze 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 161118925) is 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CCn1nc(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(N3CCOCC3)nn1C)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC(F)(F)F.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CCC(F)(F)F.CNC1(c2ccccc2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)cc1C)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is UKRQDRFICZYRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N5O.C24H33FN6O2.C24H28FN5OS.C23H25F6N5O.C22H27F4N5O.C22H25F3N4O.C22H27FN4O3S.C20H24F3N5O/c1-33(2)22(17-6-4-3-5-7-17)10-8-21(9-11-22)16-34(20(36)35(21)13-12-23(25,26)27)18-14-31-19(32-15-18)24(28,29)30;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;1-32(2)21(16-6-4-3-5-7-16)10-8-20(9-11-21)14-33(19(35)34(20)15-22(24,25)26)17-12-30-18(31-13-17)23(27,28)29;1-4-31-18(13-17(28-31)22(24,25)26)30-14-20(27-19(30)32)8-10-21(11-9-20,29(2)3)15-6-5-7-16(23)12-15;1-15-12-18(22(23,24)25)27-13-17(15)29-14-20(28-19(29)30)8-10-21(26-2,11-9-20)16-6-4-3-5-7-16;1-26(2)22(16-5-4-6-17(23)13-16)10-8-21(9-11-22)15-27(20(28)25-21)18-14-24-12-7-19(18)31(3,29)30;1-24-19(14-6-4-3-5-7-14)10-8-18(9-11-19)13-28(17(29)25-18)16-12-15(20(21,22)23)26-27(16)2/h3-7,14-15H,8-13,16H2,1-2H3;4-6,15-16H,7-14,17H2,1-3H3,(H,26,32);4-8,13-15H,9-12,16H2,1-3H3,(H,26,31);3-7,12-13H,8-11,14-15H2,1-2H3;5-7,12-13H,4,8-11,14H2,1-3H3,(H,27,32);3-7,12-13,26H,8-11,14H2,1-2H3,(H,28,30);4-7,12-14H,8-11,15H2,1-3H3,(H,25,28);3-7,12,24H,8-11,13H2,1-2H3,(H,25,29).
What are the key properties of 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3653.06 g/mol, XLogP of 32.86, 31 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;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-(4-methylsulfonyl-3-pyridinyl)-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;8-(dimethylamino)-8-phenyl-1-(2,2,2-trifluoroethyl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1-(3,3,3-trifluoropropyl)-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161118925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).