8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)

C239H317F4N55O20S5 — CID 161150768

IUPAC8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
SMILESCC(=O)Nc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]ccc3c1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O
InChIInChI=1S/2C29H41N7O2.C26H36N6O2.C23H32N6O2S.C23H27N5O.C22H30N6O2S.C22H28N6O2.C22H28N4O3S.C22H29N3O3S2.C21H25F4N5O/c2*1-33-13-15-35(16-14-33)26-30-18-25(19-31-26)36-22-28(32-27(36)37)9-11-29(12-10-28,24-6-4-3-5-7-24)34(2)20-23-8-17-38-21-23;1-19-22(20(2)28-23(27-19)31-14-16-34-17-15-31)32-18-25(29-24(32)33)10-12-26(13-11-25,30(3)4)21-8-6-5-7-9-21;1-17-18(15-24-20(25-17)28-10-12-31-13-11-28)29-16-22(26-21(29)30)6-8-23(9-7-22,27(2)3)19-5-4-14-32-19;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(29)26-22)19-14-17-8-13-24-20(17)25-15-19;1-26(2)22(18-4-3-13-31-18)7-5-21(6-8-22)16-28(20(29)25-21)17-14-23-19(24-15-17)27-9-11-30-12-10-27;1-16(29)25-19-23-13-18(14-24-19)28-15-21(26-20(28)30)9-11-22(12-10-21,27(2)3)17-7-5-4-6-8-17;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)18-9-10-19(23-15-18)30(3,28)29;1-24(2)22(19-9-6-14-29-19)12-10-21(11-13-22)16-25(20(26)23-21)18-8-5-4-7-17(18)15-30(3,27)28;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-30(18(31)26-19)17-12-16(21(23,24)25)27-29(17)3/h2*3-7,18-19,23H,8-17,20-22H2,1-2H3,(H,32,37);5-9H,10-18H2,1-4H3,(H,29,33);4-5,14-15H,6-13,16H2,1-3H3,(H,26,30);3-8,13-15H,9-12,16H2,1-2H3,(H,24,25)(H,26,29);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);4-8,13-14H,9-12,15H2,1-3H3,(H,26,30)(H,23,24,25,29);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-9,14H,10-13,15-16H2,1-3H3,(H,23,26);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31)
InChIKeyUOQKBEVRRIQWGE-UHFFFAOYSA-N
MW4516.86 g/mol
LogP31.61
Rot. Bonds43

About 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)

8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one) (PubChem CID 161150768) has the molecular formula C239H317F4N55O20S5 and a molecular weight of 4516.86 g/mol. Its IUPAC name is 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one).

Molecular Properties

Compound Name8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
PubChem CID161150768
Molecular FormulaC239H317F4N55O20S5
Molecular Weight4516.86 g/mol
Exact Mass4513.40
IUPAC Name8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)
SMILESCC(=O)Nc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]ccc3c1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O
InChIInChI=1S/2C29H41N7O2.C26H36N6O2.C23H32N6O2S.C23H27N5O.C22H30N6O2S.C22H28N6O2.C22H28N4O3S.C22H29N3O3S2.C21H25F4N5O/c2*1-33-13-15-35(16-14-33)26-30-18-25(19-31-26)36-22-28(32-27(36)37)9-11-29(12-10-28,24-6-4-3-5-7-24)34(2)20-23-8-17-38-21-23;1-19-22(20(2)28-23(27-19)31-14-16-34-17-15-31)32-18-25(29-24(32)33)10-12-26(13-11-25,30(3)4)21-8-6-5-7-9-21;1-17-18(15-24-20(25-17)28-10-12-31-13-11-28)29-16-22(26-21(29)30)6-8-23(9-7-22,27(2)3)19-5-4-14-32-19;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(29)26-22)19-14-17-8-13-24-20(17)25-15-19;1-26(2)22(18-4-3-13-31-18)7-5-21(6-8-22)16-28(20(29)25-21)17-14-23-19(24-15-17)27-9-11-30-12-10-27;1-16(29)25-19-23-13-18(14-24-19)28-15-21(26-20(28)30)9-11-22(12-10-21,27(2)3)17-7-5-4-6-8-17;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)18-9-10-19(23-15-18)30(3,28)29;1-24(2)22(19-9-6-14-29-19)12-10-21(11-13-22)16-25(20(26)23-21)18-8-5-4-7-17(18)15-30(3,27)28;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-30(18(31)26-19)17-12-16(21(23,24)25)27-29(17)3/h2*3-7,18-19,23H,8-17,20-22H2,1-2H3,(H,32,37);5-9H,10-18H2,1-4H3,(H,29,33);4-5,14-15H,6-13,16H2,1-3H3,(H,26,30);3-8,13-15H,9-12,16H2,1-2H3,(H,24,25)(H,26,29);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);4-8,13-14H,9-12,15H2,1-3H3,(H,26,30)(H,23,24,25,29);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-9,14H,10-13,15-16H2,1-3H3,(H,23,26);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31)
InChIKeyUOQKBEVRRIQWGE-UHFFFAOYSA-N
XLogP31.61
TPSA736.08 Ų
H-Bond Donors12
H-Bond Acceptors56
Rotatable Bonds43
Heavy Atoms323
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004516.86
LogP ≤ 531.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1056

Analyze 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-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-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)?
The IUPAC name of 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one) (CID 161150768) is 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one).
What is the SMILES notation for 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)?
The canonical SMILES for 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one) is CC(=O)Nc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2cccc(F)c2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc3[nH]ccc3c1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1ccccc1CS(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.CN1CCN(c2ncc(N3CC4(CCC(c5ccccc5)(N(C)CC5CCOC5)CC4)NC3=O)cn2)CC1.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)ncc1N1CC2(CCC(c3cccs3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)?
The InChIKey is UOQKBEVRRIQWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H41N7O2.C26H36N6O2.C23H32N6O2S.C23H27N5O.C22H30N6O2S.C22H28N6O2.C22H28N4O3S.C22H29N3O3S2.C21H25F4N5O/c2*1-33-13-15-35(16-14-33)26-30-18-25(19-31-26)36-22-28(32-27(36)37)9-11-29(12-10-28,24-6-4-3-5-7-24)34(2)20-23-8-17-38-21-23;1-19-22(20(2)28-23(27-19)31-14-16-34-17-15-31)32-18-25(29-24(32)33)10-12-26(13-11-25,30(3)4)21-8-6-5-7-9-21;1-17-18(15-24-20(25-17)28-10-12-31-13-11-28)29-16-22(26-21(29)30)6-8-23(9-7-22,27(2)3)19-5-4-14-32-19;1-27(2)23(18-6-4-3-5-7-18)11-9-22(10-12-23)16-28(21(29)26-22)19-14-17-8-13-24-20(17)25-15-19;1-26(2)22(18-4-3-13-31-18)7-5-21(6-8-22)16-28(20(29)25-21)17-14-23-19(24-15-17)27-9-11-30-12-10-27;1-16(29)25-19-23-13-18(14-24-19)28-15-21(26-20(28)30)9-11-22(12-10-21,27(2)3)17-7-5-4-6-8-17;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)18-9-10-19(23-15-18)30(3,28)29;1-24(2)22(19-9-6-14-29-19)12-10-21(11-13-22)16-25(20(26)23-21)18-8-5-4-7-17(18)15-30(3,27)28;1-28(2)20(14-5-4-6-15(22)11-14)9-7-19(8-10-20)13-30(18(31)26-19)17-12-16(21(23,24)25)27-29(17)3/h2*3-7,18-19,23H,8-17,20-22H2,1-2H3,(H,32,37);5-9H,10-18H2,1-4H3,(H,29,33);4-5,14-15H,6-13,16H2,1-3H3,(H,26,30);3-8,13-15H,9-12,16H2,1-2H3,(H,24,25)(H,26,29);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);4-8,13-14H,9-12,15H2,1-3H3,(H,26,30)(H,23,24,25,29);4-10,15H,11-14,16H2,1-3H3,(H,24,27);4-9,14H,10-13,15-16H2,1-3H3,(H,23,26);4-6,11-12H,7-10,13H2,1-3H3,(H,26,31).
What are the key properties of 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one)?
8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one) has a molecular weight of 4516.86 g/mol, XLogP of 31.61, 43 rotatable bonds, 12 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-fluorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(methylsulfonylmethyl)phenyl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(6-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-ylpyrimidin-5-yl)-8-thiophen-2-yl-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]acetamide;8-(dimethylamino)-8-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-diazaspiro[4.5]decan-2-one;bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one) is sourced from PubChem (CID 161150768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).