3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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

C226H270F36N48O15S2 — CID 158070086

IUPAC3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.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(C(F)(F)F)nn1C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)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.C24H29F4N5O2.C23H25F6N5O.C23H29F4N5O3S.C23H27F4N5O.C23H30FN5O.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;1-31(2)23(17-4-3-5-18(25)10-17)8-6-22(7-9-23)15-32(21(34)29-22)20-11-19(24(26,27)28)30-33(20)12-16-13-35-14-16;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;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-30(2)22(15-4-3-5-16(24)12-15)10-8-21(9-11-22)14-31(20(33)28-21)19-13-18(23(25,26)27)29-32(19)17-6-7-17;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17;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;3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,29,34);3-7,12-13H,8-11,14-15H2,1-2H3;4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);3-5,12-13,17H,6-11,14H2,1-2H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30);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)
InChIKeyFLSIHMXFOIKPBT-UHFFFAOYSA-N
MW4647.03 g/mol
LogP41.41
Rot. Bonds42

About 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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

3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 158070086) has the molecular formula C226H270F36N48O15S2 and a molecular weight of 4647.03 g/mol. Its IUPAC name is 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 Name3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 CID158070086
Molecular FormulaC226H270F36N48O15S2
Molecular Weight4647.03 g/mol
Exact Mass4644.07
IUPAC Name3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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
SMILESCCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.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(C(F)(F)F)nn1C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)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.C24H29F4N5O2.C23H25F6N5O.C23H29F4N5O3S.C23H27F4N5O.C23H30FN5O.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;1-31(2)23(17-4-3-5-18(25)10-17)8-6-22(7-9-23)15-32(21(34)29-22)20-11-19(24(26,27)28)30-33(20)12-16-13-35-14-16;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;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-30(2)22(15-4-3-5-16(24)12-15)10-8-21(9-11-22)14-31(20(33)28-21)19-13-18(23(25,26)27)29-32(19)17-6-7-17;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17;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;3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,29,34);3-7,12-13H,8-11,14-15H2,1-2H3;4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);3-5,12-13,17H,6-11,14H2,1-2H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30);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)
InChIKeyFLSIHMXFOIKPBT-UHFFFAOYSA-N
XLogP41.41
TPSA625.53 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds42
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004647.03
LogP ≤ 541.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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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What is the IUPAC name of 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 158070086) is 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 CCc1ncc(N2CC3(CCC(c4cccc(F)c4)(N(C)C)CC3)NC2=O)c(C)n1.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(C(F)(F)F)nn1C1CC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CC1COC1)C(=O)N2.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1CCS(C)(=O)=O)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 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 FLSIHMXFOIKPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F6N5O.C24H29F4N5O2.C23H25F6N5O.C23H29F4N5O3S.C23H27F4N5O.C23H30FN5O.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;1-31(2)23(17-4-3-5-18(25)10-17)8-6-22(7-9-23)15-32(21(34)29-22)20-11-19(24(26,27)28)30-33(20)12-16-13-35-14-16;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;1-30(2)22(16-5-4-6-17(24)13-16)9-7-21(8-10-22)15-31(20(33)28-21)19-14-18(23(25,26)27)29-32(19)11-12-36(3,34)35;1-30(2)22(15-4-3-5-16(24)12-15)10-8-21(9-11-22)14-31(20(33)28-21)19-13-18(23(25,26)27)29-32(19)17-6-7-17;1-5-20-25-14-19(16(2)26-20)29-15-22(27-21(29)30)9-11-23(12-10-22,28(3)4)17-7-6-8-18(24)13-17;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;3-5,10-11,16H,6-9,12-15H2,1-2H3,(H,29,34);3-7,12-13H,8-11,14-15H2,1-2H3;4-6,13-14H,7-12,15H2,1-3H3,(H,28,33);3-5,12-13,17H,6-11,14H2,1-2H3,(H,28,33);6-8,13-14H,5,9-12,15H2,1-4H3,(H,27,30);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 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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?
3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 4647.03 g/mol, XLogP of 41.41, 42 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropyl-3-(trifluoromethyl)pyrazol-5-yl]-8-(dimethylamino)-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-ethyl-4-methylpyrimidin-5-yl)-8-(3-fluorophenyl)-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-(2-methylsulfonylethyl)-3-(trifluoromethyl)pyrazol-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-(oxetan-3-ylmethyl)-3-(trifluoromethyl)pyrazol-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 158070086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).