3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C189H230F9N43O15S — CID 161281657

IUPAC3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3cc(C4CC4)nn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.Cc1nc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30N8O.C25H33N7O2.C22H25F3N4O2.C22H27N5O2.C22H25N5O.C22H28N4O3S/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33;1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32;1-31(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)17-32(23(34)28-24)20-14-26-22(27-15-20)33-16-21(29-30-33)18-8-9-18;1-18-20(15-27-22(28-18)31-14-13-26-21(33)16-31)32-17-24(29-23(32)34)9-11-25(12-10-24,30(2)3)19-7-5-4-6-8-19;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)18-9-8-17(14-26-18)31-22(23,24)25;1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17;1-26(2)22(18-6-4-3-5-7-18)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-17(14-23)15-24-19;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-9-18(15-23-19)30(3,28)29/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35);2-6,15-16,29H,7-14,17H2,1H3,(H,31,34);3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,34);4-8,15H,9-14,16-17H2,1-3H3,(H,26,33)(H,29,34);3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);3-9,15H,10-13,16H2,1-2H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27)
InChIKeyVFEBEVISNWHIFX-UHFFFAOYSA-N
MW3547.25 g/mol
LogP26.18
Rot. Bonds32

About 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 161281657) has the molecular formula C189H230F9N43O15S and a molecular weight of 3547.25 g/mol. Its IUPAC name is 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID161281657
Molecular FormulaC189H230F9N43O15S
Molecular Weight3547.25 g/mol
Exact Mass3544.81
IUPAC Name3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3cc(C4CC4)nn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.Cc1nc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30N8O.C25H33N7O2.C22H25F3N4O2.C22H27N5O2.C22H25N5O.C22H28N4O3S/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33;1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32;1-31(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)17-32(23(34)28-24)20-14-26-22(27-15-20)33-16-21(29-30-33)18-8-9-18;1-18-20(15-27-22(28-18)31-14-13-26-21(33)16-31)32-17-24(29-23(32)34)9-11-25(12-10-24,30(2)3)19-7-5-4-6-8-19;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)18-9-8-17(14-26-18)31-22(23,24)25;1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17;1-26(2)22(18-6-4-3-5-7-18)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-17(14-23)15-24-19;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-9-18(15-23-19)30(3,28)29/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35);2-6,15-16,29H,7-14,17H2,1H3,(H,31,34);3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,34);4-8,15H,9-14,16-17H2,1-3H3,(H,26,33)(H,29,34);3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);3-9,15H,10-13,16H2,1-2H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27)
InChIKeyVFEBEVISNWHIFX-UHFFFAOYSA-N
XLogP26.18
TPSA620.57 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds32
Heavy Atoms257
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003547.25
LogP ≤ 526.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

3-[2-(4-Acetylpiperazin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-[cyclopropylmethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylpiperazine-1-carbonyl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzamide;3-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]benzonitrile;bis(4-[8-(ethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-methoxybenzonitrile)
CID 157668261
3-cyano-N-[6-[3-(6-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide;4-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;4-morpholin-4-yl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide
CID 157796517
3-cyano-5-fluoro-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(4-methylphenyl)-6-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;2-methylsulfonyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;6-oxo-1-(pyridin-2-ylmethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide
CID 159070011
CID 159544331
CID 159544331
CID 162120141
CID 162120141
3-[2-(Azetidin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[2-(3,3-difluoroazetidin-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
CID 162160933

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 161281657) is 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(OC(F)(F)F)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(-n3cc(C4CC4)nn3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.CNC1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)c(C(F)(F)F)c1)C(=O)N2.Cc1nc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is VFEBEVISNWHIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2.C25H30F3N5O2.C25H30N8O.C25H33N7O2.C22H25F3N4O2.C22H27N5O2.C22H25N5O.C22H28N4O3S/c1-32(2)25(19-6-4-3-5-7-19)10-8-24(9-11-25)18-34(23(35)31-24)20-16-21(26(27,28)29)22(30-17-20)33-12-14-36-15-13-33;1-29-24(18-5-3-2-4-6-18)9-7-23(8-10-24)17-33(22(34)31-23)19-15-20(25(26,27)28)21(30-16-19)32-11-13-35-14-12-32;1-31(2)25(19-6-4-3-5-7-19)12-10-24(11-13-25)17-32(23(34)28-24)20-14-26-22(27-15-20)33-16-21(29-30-33)18-8-9-18;1-18-20(15-27-22(28-18)31-14-13-26-21(33)16-31)32-17-24(29-23(32)34)9-11-25(12-10-24,30(2)3)19-7-5-4-6-8-19;1-28(2)21(16-6-4-3-5-7-16)12-10-20(11-13-21)15-29(19(30)27-20)18-9-8-17(14-26-18)31-22(23,24)25;1-26(2)22(16-6-4-3-5-7-16)12-10-21(11-13-22)15-27(20(29)25-21)17-8-9-18(19(23)28)24-14-17;1-26(2)22(18-6-4-3-5-7-18)12-10-21(11-13-22)16-27(20(28)25-21)19-9-8-17(14-23)15-24-19;1-25(2)22(17-7-5-4-6-8-17)13-11-21(12-14-22)16-26(20(27)24-21)19-10-9-18(15-23-19)30(3,28)29/h3-7,16-17H,8-15,18H2,1-2H3,(H,31,35);2-6,15-16,29H,7-14,17H2,1H3,(H,31,34);3-7,14-16,18H,8-13,17H2,1-2H3,(H,28,34);4-8,15H,9-14,16-17H2,1-3H3,(H,26,33)(H,29,34);3-9,14H,10-13,15H2,1-2H3,(H,27,30);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);3-9,15H,10-13,16H2,1-2H3,(H,25,28);4-10,15H,11-14,16H2,1-3H3,(H,24,27).
What are the key properties of 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 3547.25 g/mol, XLogP of 26.18, 32 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopropyltriazol-1-yl)pyrimidin-5-yl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-2-(3-oxopiperazin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(5-methylsulfonyl-2-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;6-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-3-carbonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-2-carboxamide;8-(dimethylamino)-8-phenyl-3-[5-(trifluoromethoxy)-2-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(methylamino)-3-[6-morpholin-4-yl-5-(trifluoromethyl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 161281657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).