3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide

C260H310F16N50O17 — CID 160517310

IUPAC3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C(=O)C1CCOCC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)N=C(N1CCOCC1)C3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)c(C(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1C#N)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN1C(=O)Cc2c(-c3ncc(N4CC5(CCC(c6ccccc6)(N(C)C)CC5)NC4=O)cn3)cccc21.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(O)c3)(N(C)C)CC2)NC1=O.Cc1cc(F)cc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1
InChIInChI=1S/C29H32N6O2.C29H31N5O2.C28H35N5O2.C27H36N6O3.C26H36N6O2.C26H31N5O.C25H30F3N5O.C24H28F4N4O.C23H24F6N4O.C23H27F3N4O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-17-30-26(31-18-21)22-10-7-11-24-23(22)16-25(36)34(24)3;1-33(2)29(20-7-4-3-5-8-20)15-13-28(14-16-29)19-34(27(36)32-28)21-11-12-24(30-18-21)22-9-6-10-25-23(22)17-26(35)31-25;1-31(2)28(22-6-4-3-5-7-22)12-10-27(11-13-28)20-33(26(34)30-27)23-9-8-21-18-25(29-24(21)19-23)32-14-16-35-17-15-32;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-17-28-24(29-18-22)32(3)23(34)20-9-15-36-16-10-20;1-24(2,3)21(33)31(6)22-27-16-20(17-28-22)32-18-25(29-23(32)34)12-14-26(15-13-25,30(4)5)19-10-8-7-9-11-19;1-29(2)26(22-6-4-3-5-7-22)13-11-25(12-14-26)19-30(23-17-28-15-10-21(23)16-27)24(32)31(25)18-20-8-9-20;1-31(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-33(22(34)30-23)19-15-20(25(26,27)28)21(29-16-19)32-13-6-14-32;1-15-9-17(12-18(25)10-15)23(31(3)4)7-5-22(6-8-23)14-32(21(33)30-22)19-13-29-20(11-16(19)2)24(26,27)28;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)18-17(23(27,28)29)12-16(13-30-18)22(24,25)26;1-15-11-19(23(24,25)26)27-13-18(15)30-14-21(28-20(30)32)7-9-22(10-8-21,29(2)3)16-5-4-6-17(31)12-16/h4-11,17-18H,12-16,19H2,1-3H3,(H,32,37);3-12,18H,13-17,19H2,1-2H3,(H,31,35)(H,32,36);3-9,19H,10-18,20H2,1-2H3,(H,30,34);4-8,17-18,20H,9-16,19H2,1-3H3,(H,30,35);7-11,16-17H,12-15,18H2,1-6H3,(H,29,34);3-7,10,15,17,20H,8-9,11-14,18-19H2,1-2H3;3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,30,34);9-13H,5-8,14H2,1-4H3,(H,30,33);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13,31H,7-10,14H2,1-3H3,(H,28,32)
InChIKeyQTUYYBISWBLDGV-UHFFFAOYSA-N
MW4711.64 g/mol
LogP43.33
Rot. Bonds38

About 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide

3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide (PubChem CID 160517310) has the molecular formula C260H310F16N50O17 and a molecular weight of 4711.64 g/mol. Its IUPAC name is 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide
PubChem CID160517310
Molecular FormulaC260H310F16N50O17
Molecular Weight4711.64 g/mol
Exact Mass4708.47
IUPAC Name3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C(=O)C1CCOCC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)N=C(N1CCOCC1)C3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)c(C(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1C#N)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN1C(=O)Cc2c(-c3ncc(N4CC5(CCC(c6ccccc6)(N(C)C)CC5)NC4=O)cn3)cccc21.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(O)c3)(N(C)C)CC2)NC1=O.Cc1cc(F)cc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1
InChIInChI=1S/C29H32N6O2.C29H31N5O2.C28H35N5O2.C27H36N6O3.C26H36N6O2.C26H31N5O.C25H30F3N5O.C24H28F4N4O.C23H24F6N4O.C23H27F3N4O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-17-30-26(31-18-21)22-10-7-11-24-23(22)16-25(36)34(24)3;1-33(2)29(20-7-4-3-5-8-20)15-13-28(14-16-29)19-34(27(36)32-28)21-11-12-24(30-18-21)22-9-6-10-25-23(22)17-26(35)31-25;1-31(2)28(22-6-4-3-5-7-22)12-10-27(11-13-28)20-33(26(34)30-27)23-9-8-21-18-25(29-24(21)19-23)32-14-16-35-17-15-32;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-17-28-24(29-18-22)32(3)23(34)20-9-15-36-16-10-20;1-24(2,3)21(33)31(6)22-27-16-20(17-28-22)32-18-25(29-23(32)34)12-14-26(15-13-25,30(4)5)19-10-8-7-9-11-19;1-29(2)26(22-6-4-3-5-7-22)13-11-25(12-14-26)19-30(23-17-28-15-10-21(23)16-27)24(32)31(25)18-20-8-9-20;1-31(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-33(22(34)30-23)19-15-20(25(26,27)28)21(29-16-19)32-13-6-14-32;1-15-9-17(12-18(25)10-15)23(31(3)4)7-5-22(6-8-23)14-32(21(33)30-22)19-13-29-20(11-16(19)2)24(26,27)28;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)18-17(23(27,28)29)12-16(13-30-18)22(24,25)26;1-15-11-19(23(24,25)26)27-13-18(15)30-14-21(28-20(30)32)7-9-22(10-8-21,29(2)3)16-5-4-6-17(31)12-16/h4-11,17-18H,12-16,19H2,1-3H3,(H,32,37);3-12,18H,13-17,19H2,1-2H3,(H,31,35)(H,32,36);3-9,19H,10-18,20H2,1-2H3,(H,30,34);4-8,17-18,20H,9-16,19H2,1-3H3,(H,30,35);7-11,16-17H,12-15,18H2,1-6H3,(H,29,34);3-7,10,15,17,20H,8-9,11-14,18-19H2,1-2H3;3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,30,34);9-13H,5-8,14H2,1-4H3,(H,30,33);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13,31H,7-10,14H2,1-3H3,(H,28,32)
InChIKeyQTUYYBISWBLDGV-UHFFFAOYSA-N
XLogP43.33
TPSA673.04 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds38
Heavy Atoms343
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004711.64
LogP ≤ 543.33
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide with MolForge

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What is the IUPAC name of 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide (CID 160517310) is 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C(=O)C1CCOCC1)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)N=C(N1CCOCC1)C3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCC3)c(C(F)(F)F)c1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1C#N)C(=O)N2CC1CC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ncc(C(F)(F)F)cc1C(F)(F)F)C(=O)N2.CN1C(=O)Cc2c(-c3ncc(N4CC5(CCC(c6ccccc6)(N(C)C)CC5)NC4=O)cn3)cccc21.Cc1cc(C(F)(F)F)ncc1N1CC2(CCC(c3cccc(O)c3)(N(C)C)CC2)NC1=O.Cc1cc(F)cc(C2(N(C)C)CCC3(CC2)CN(c2cnc(C(F)(F)F)cc2C)C(=O)N3)c1.
What is the InChIKey of 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide?
The InChIKey is QTUYYBISWBLDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2.C29H31N5O2.C28H35N5O2.C27H36N6O3.C26H36N6O2.C26H31N5O.C25H30F3N5O.C24H28F4N4O.C23H24F6N4O.C23H27F3N4O2/c1-33(2)29(20-8-5-4-6-9-20)14-12-28(13-15-29)19-35(27(37)32-28)21-17-30-26(31-18-21)22-10-7-11-24-23(22)16-25(36)34(24)3;1-33(2)29(20-7-4-3-5-8-20)15-13-28(14-16-29)19-34(27(36)32-28)21-11-12-24(30-18-21)22-9-6-10-25-23(22)17-26(35)31-25;1-31(2)28(22-6-4-3-5-7-22)12-10-27(11-13-28)20-33(26(34)30-27)23-9-8-21-18-25(29-24(21)19-23)32-14-16-35-17-15-32;1-31(2)27(21-7-5-4-6-8-21)13-11-26(12-14-27)19-33(25(35)30-26)22-17-28-24(29-18-22)32(3)23(34)20-9-15-36-16-10-20;1-24(2,3)21(33)31(6)22-27-16-20(17-28-22)32-18-25(29-23(32)34)12-14-26(15-13-25,30(4)5)19-10-8-7-9-11-19;1-29(2)26(22-6-4-3-5-7-22)13-11-25(12-14-26)19-30(23-17-28-15-10-21(23)16-27)24(32)31(25)18-20-8-9-20;1-31(2)24(18-7-4-3-5-8-18)11-9-23(10-12-24)17-33(22(34)30-23)19-15-20(25(26,27)28)21(29-16-19)32-13-6-14-32;1-15-9-17(12-18(25)10-15)23(31(3)4)7-5-22(6-8-23)14-32(21(33)30-22)19-13-29-20(11-16(19)2)24(26,27)28;1-32(2)21(15-6-4-3-5-7-15)10-8-20(9-11-21)14-33(19(34)31-20)18-17(23(27,28)29)12-16(13-30-18)22(24,25)26;1-15-11-19(23(24,25)26)27-13-18(15)30-14-21(28-20(30)32)7-9-22(10-8-21,29(2)3)16-5-4-6-17(31)12-16/h4-11,17-18H,12-16,19H2,1-3H3,(H,32,37);3-12,18H,13-17,19H2,1-2H3,(H,31,35)(H,32,36);3-9,19H,10-18,20H2,1-2H3,(H,30,34);4-8,17-18,20H,9-16,19H2,1-3H3,(H,30,35);7-11,16-17H,12-15,18H2,1-6H3,(H,29,34);3-7,10,15,17,20H,8-9,11-14,18-19H2,1-2H3;3-5,7-8,15-16H,6,9-14,17H2,1-2H3,(H,30,34);9-13H,5-8,14H2,1-4H3,(H,30,33);3-7,12-13H,8-11,14H2,1-2H3,(H,31,34);4-6,11-13,31H,7-10,14H2,1-3H3,(H,28,32).
What are the key properties of 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide?
3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide has a molecular weight of 4711.64 g/mol, XLogP of 43.33, 38 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(azetidin-1-yl)-5-(trifluoromethyl)-3-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[3,5-bis(trifluoromethyl)-2-pyridinyl]-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[1-(cyclopropylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyridine-4-carbonitrile;8-(dimethylamino)-8-(3-fluoro-5-methylphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-(3-hydroxyphenyl)-3-[4-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-(1-methyl-2-oxo-3H-indol-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-morpholin-4-yl-3H-indol-6-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[6-(2-oxo-1,3-dihydroindol-4-yl)-3-pyridinyl]-8-phenyl-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]-N-methyloxane-4-carboxamide;N-[5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidin-2-yl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 160517310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).