8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)

C190H230F18N42O11S3 — CID 162110772

IUPAC8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1C(F)(F)F)C(=O)N2.CN(C)C1(c2nc3ccccc3n2C)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(Cc3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3nc4ccccc4n3C)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H34N6O.C25H31F3N6O3S.C25H29F3N6O.C24H29F3N4O.C23H26F3N7O.C23H31N5O2.2C21H25F3N4OS/c1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)24(18-6-4-3-5-7-18)10-8-23(9-11-24)17-34(22(35)31-23)19-16-29-21(30-20(19)25(26,27)28)33-12-14-38(36,37)15-13-33;1-16-13-20(25(26,27)28)29-14-19(16)34-15-23(31-22(34)35)9-11-24(12-10-23,32(2)3)21-30-17-7-5-6-8-18(17)33(21)4;1-17-13-20(24(25,26)27)28-15-19(17)31-16-22(29-21(31)32)9-11-23(12-10-22,30(2)3)14-18-7-5-4-6-8-18;1-31(2)22(19-29-16-6-4-5-7-17(16)32(19)3)10-8-21(9-11-22)14-33(20(34)30-21)15-12-27-18(28-13-15)23(24,25)26;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;2*1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-7,16H,8-15,17H2,1-2H3,(H,31,35);5-8,13-14H,9-12,15H2,1-4H3,(H,31,35);4-8,13,15H,9-12,14,16H2,1-3H3,(H,29,32);4-7,12-13H,8-11,14H2,1-3H3,(H,30,34);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);2*4-5,10-12H,6-9,13H2,1-3H3,(H,26,29)
InChIKeyZGCUTBFNGYNDFI-UHFFFAOYSA-N
MW3716.38 g/mol
LogP32.75
Rot. Bonds32

About 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)

8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 162110772) has the molecular formula C190H230F18N42O11S3 and a molecular weight of 3716.38 g/mol. Its IUPAC name is 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

Compound Name8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
PubChem CID162110772
Molecular FormulaC190H230F18N42O11S3
Molecular Weight3716.38 g/mol
Exact Mass3713.76
IUPAC Name8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1C(F)(F)F)C(=O)N2.CN(C)C1(c2nc3ccccc3n2C)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(Cc3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3nc4ccccc4n3C)(N(C)C)CC2)NC1=O
InChIInChI=1S/C28H34N6O.C25H31F3N6O3S.C25H29F3N6O.C24H29F3N4O.C23H26F3N7O.C23H31N5O2.2C21H25F3N4OS/c1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)24(18-6-4-3-5-7-18)10-8-23(9-11-24)17-34(22(35)31-23)19-16-29-21(30-20(19)25(26,27)28)33-12-14-38(36,37)15-13-33;1-16-13-20(25(26,27)28)29-14-19(16)34-15-23(31-22(34)35)9-11-24(12-10-23,32(2)3)21-30-17-7-5-6-8-18(17)33(21)4;1-17-13-20(24(25,26)27)28-15-19(17)31-16-22(29-21(31)32)9-11-23(12-10-22,30(2)3)14-18-7-5-4-6-8-18;1-31(2)22(19-29-16-6-4-5-7-17(16)32(19)3)10-8-21(9-11-22)14-33(20(34)30-21)15-12-27-18(28-13-15)23(24,25)26;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;2*1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-7,16H,8-15,17H2,1-2H3,(H,31,35);5-8,13-14H,9-12,15H2,1-4H3,(H,31,35);4-8,13,15H,9-12,14,16H2,1-3H3,(H,29,32);4-7,12-13H,8-11,14H2,1-3H3,(H,30,34);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);2*4-5,10-12H,6-9,13H2,1-3H3,(H,26,29)
InChIKeyZGCUTBFNGYNDFI-UHFFFAOYSA-N
XLogP32.75
TPSA535.81 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds32
Heavy Atoms264
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003716.38
LogP ≤ 532.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)?
The IUPAC name of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) (CID 162110772) is 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one).
What is the SMILES notation for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)?
The canonical SMILES for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCCO)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1C(F)(F)F)C(=O)N2.CN(C)C1(c2nc3ccccc3n2C)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2.CN(Cc1ccccc1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(Cc3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3nc4ccccc4n3C)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)?
The InChIKey is ZGCUTBFNGYNDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C25H31F3N6O3S.C25H29F3N6O.C24H29F3N4O.C23H26F3N7O.C23H31N5O2.2C21H25F3N4OS/c1-32(2)28(23-12-8-5-9-13-23)16-14-27(15-17-28)21-34(26(35)31-27)24-18-29-25(30-19-24)33(3)20-22-10-6-4-7-11-22;1-32(2)24(18-6-4-3-5-7-18)10-8-23(9-11-24)17-34(22(35)31-23)19-16-29-21(30-20(19)25(26,27)28)33-12-14-38(36,37)15-13-33;1-16-13-20(25(26,27)28)29-14-19(16)34-15-23(31-22(34)35)9-11-24(12-10-23,32(2)3)21-30-17-7-5-6-8-18(17)33(21)4;1-17-13-20(24(25,26)27)28-15-19(17)31-16-22(29-21(31)32)9-11-23(12-10-22,30(2)3)14-18-7-5-4-6-8-18;1-31(2)22(19-29-16-6-4-5-7-17(16)32(19)3)10-8-21(9-11-22)14-33(20(34)30-21)15-12-27-18(28-13-15)23(24,25)26;1-27(2)23(18-7-4-3-5-8-18)12-10-22(11-13-23)17-28(21(30)26-22)19-15-24-20(25-16-19)9-6-14-29;2*1-14-11-16(21(22,23)24)25-12-15(14)28-13-19(26-18(28)29)6-8-20(9-7-19,27(2)3)17-5-4-10-30-17/h4-13,18-19H,14-17,20-21H2,1-3H3,(H,31,35);3-7,16H,8-15,17H2,1-2H3,(H,31,35);5-8,13-14H,9-12,15H2,1-4H3,(H,31,35);4-8,13,15H,9-12,14,16H2,1-3H3,(H,29,32);4-7,12-13H,8-11,14H2,1-3H3,(H,30,34);3-5,7-8,15-16,29H,6,9-14,17H2,1-2H3,(H,26,30);2*4-5,10-12H,6-9,13H2,1-3H3,(H,26,29).
What are the key properties of 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one)?
8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) has a molecular weight of 3716.38 g/mol, XLogP of 32.75, 32 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;3-[2-[benzyl(methyl)amino]pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(3-hydroxypropyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(1-methylbenzimidazol-2-yl)-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;bis(8-(dimethylamino)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 162110772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).