3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide

C234H294F3N53O18S6 — CID 159549136

IUPAC3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncsc13)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4cccs4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(-c2ccccn2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H31N5O.C26H28N6O2S.C26H36N6O2.C26H34N6O2.C23H26N4OS.C22H30N6O2S.C22H27N5O2.C22H28N4O3S.C21H30N6O2S.C19H24F3N5OS/c1-20-17-23(22-11-7-8-16-28-22)29-18-24(20)32-19-26(30-25(32)33)12-14-27(15-13-26,31(2)3)21-9-5-4-6-10-21;1-31(2)26(21-7-4-12-35-21)10-8-25(9-11-26)16-32(24(34)30-25)17-14-27-23(28-15-17)18-5-3-6-20-19(18)13-22(33)29-20;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;1-19-15-22(31-14-13-27-23(33)17-31)28-16-21(19)32-18-25(29-24(32)34)9-11-26(12-10-25,30(2)3)20-7-5-4-6-8-20;1-26(2)23(17-7-4-3-5-8-17)13-11-22(12-14-23)15-27(21(28)25-22)19-10-6-9-18-20(19)29-16-24-18;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;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)15-27(20(29)25-21)18-9-8-16(14-24-18)19(23)28;1-25(2)22(17-7-5-4-6-8-17)12-10-21(11-13-22)16-26(20(27)24-21)18-15-23-14-9-19(18)30(3,28)29;1-25(2)21(17-5-4-12-30-17)8-6-20(7-9-21)15-27(19(29)24-20)16-13-22-18(23-14-16)26(3)10-11-28;1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-11,16-18H,12-15,19H2,1-3H3,(H,30,33);3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,29,33)(H,30,34);5-9H,10-18H2,1-4H3,(H,29,33);4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,33)(H,29,34);3-10,16H,11-15H2,1-2H3,(H,25,28);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);4-9,14-15H,10-13,16H2,1-3H3,(H,24,27);4-5,12-14,28H,6-11,15H2,1-3H3,(H,24,29);4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)
InChIKeyMFECNPIICSGDFL-UHFFFAOYSA-N
MW4386.67 g/mol
LogP33.21
Rot. Bonds40

About 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide

3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide (PubChem CID 159549136) has the molecular formula C234H294F3N53O18S6 and a molecular weight of 4386.67 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide
PubChem CID159549136
Molecular FormulaC234H294F3N53O18S6
Molecular Weight4386.67 g/mol
Exact Mass4383.20
IUPAC Name3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncsc13)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4cccs4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(-c2ccccn2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O
InChIInChI=1S/C27H31N5O.C26H28N6O2S.C26H36N6O2.C26H34N6O2.C23H26N4OS.C22H30N6O2S.C22H27N5O2.C22H28N4O3S.C21H30N6O2S.C19H24F3N5OS/c1-20-17-23(22-11-7-8-16-28-22)29-18-24(20)32-19-26(30-25(32)33)12-14-27(15-13-26,31(2)3)21-9-5-4-6-10-21;1-31(2)26(21-7-4-12-35-21)10-8-25(9-11-26)16-32(24(34)30-25)17-14-27-23(28-15-17)18-5-3-6-20-19(18)13-22(33)29-20;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;1-19-15-22(31-14-13-27-23(33)17-31)28-16-21(19)32-18-25(29-24(32)34)9-11-26(12-10-25,30(2)3)20-7-5-4-6-8-20;1-26(2)23(17-7-4-3-5-8-17)13-11-22(12-14-23)15-27(21(28)25-22)19-10-6-9-18-20(19)29-16-24-18;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;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)15-27(20(29)25-21)18-9-8-16(14-24-18)19(23)28;1-25(2)22(17-7-5-4-6-8-17)12-10-21(11-13-22)16-26(20(27)24-21)18-15-23-14-9-19(18)30(3,28)29;1-25(2)21(17-5-4-12-30-17)8-6-20(7-9-21)15-27(19(29)24-20)16-13-22-18(23-14-16)26(3)10-11-28;1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-11,16-18H,12-15,19H2,1-3H3,(H,30,33);3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,29,33)(H,30,34);5-9H,10-18H2,1-4H3,(H,29,33);4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,33)(H,29,34);3-10,16H,11-15H2,1-2H3,(H,25,28);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);4-9,14-15H,10-13,16H2,1-3H3,(H,24,27);4-5,12-14,28H,6-11,15H2,1-3H3,(H,24,29);4-5,10-11H,6-9,12H2,1-3H3,(H,23,28)
InChIKeyMFECNPIICSGDFL-UHFFFAOYSA-N
XLogP33.21
TPSA741.16 Ų
H-Bond Donors14
H-Bond Acceptors53
Rotatable Bonds40
Heavy Atoms314
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004386.67
LogP ≤ 533.21
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1053

Analyze 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide with MolForge

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What is the IUPAC name of 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide?
The IUPAC name of 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide (CID 159549136) is 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide.
What is the SMILES notation for 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide?
The canonical SMILES for 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cn1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncsc13)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1S(C)(=O)=O)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cc(C(F)(F)F)nn1C)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(-c3cccc4c3CC(=O)N4)nc1)C(=O)N2.CN(C)C1(c2cccs2)CCC2(CC1)CN(c1cnc(N3CCOCC3)nc1)C(=O)N2.CN(CCO)c1ncc(N2CC3(CCC(c4cccs4)(N(C)C)CC3)NC2=O)cn1.Cc1cc(-c2ccccn2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1cc(N2CCNC(=O)C2)ncc1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.Cc1nc(N2CCOCC2)nc(C)c1N1CC2(CCC(c3ccccc3)(N(C)C)CC2)NC1=O.
What is the InChIKey of 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide?
The InChIKey is MFECNPIICSGDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O.C26H28N6O2S.C26H36N6O2.C26H34N6O2.C23H26N4OS.C22H30N6O2S.C22H27N5O2.C22H28N4O3S.C21H30N6O2S.C19H24F3N5OS/c1-20-17-23(22-11-7-8-16-28-22)29-18-24(20)32-19-26(30-25(32)33)12-14-27(15-13-26,31(2)3)21-9-5-4-6-10-21;1-31(2)26(21-7-4-12-35-21)10-8-25(9-11-26)16-32(24(34)30-25)17-14-27-23(28-15-17)18-5-3-6-20-19(18)13-22(33)29-20;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;1-19-15-22(31-14-13-27-23(33)17-31)28-16-21(19)32-18-25(29-24(32)34)9-11-26(12-10-25,30(2)3)20-7-5-4-6-8-20;1-26(2)23(17-7-4-3-5-8-17)13-11-22(12-14-23)15-27(21(28)25-22)19-10-6-9-18-20(19)29-16-24-18;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;1-26(2)22(17-6-4-3-5-7-17)12-10-21(11-13-22)15-27(20(29)25-21)18-9-8-16(14-24-18)19(23)28;1-25(2)22(17-7-5-4-6-8-17)12-10-21(11-13-22)16-26(20(27)24-21)18-15-23-14-9-19(18)30(3,28)29;1-25(2)21(17-5-4-12-30-17)8-6-20(7-9-21)15-27(19(29)24-20)16-13-22-18(23-14-16)26(3)10-11-28;1-25(2)18(14-5-4-10-29-14)8-6-17(7-9-18)12-27(16(28)23-17)15-11-13(19(20,21)22)24-26(15)3/h4-11,16-18H,12-15,19H2,1-3H3,(H,30,33);3-7,12,14-15H,8-11,13,16H2,1-2H3,(H,29,33)(H,30,34);5-9H,10-18H2,1-4H3,(H,29,33);4-8,15-16H,9-14,17-18H2,1-3H3,(H,27,33)(H,29,34);3-10,16H,11-15H2,1-2H3,(H,25,28);3-4,13-15H,5-12,16H2,1-2H3,(H,25,29);3-9,14H,10-13,15H2,1-2H3,(H2,23,28)(H,25,29);4-9,14-15H,10-13,16H2,1-3H3,(H,24,27);4-5,12-14,28H,6-11,15H2,1-3H3,(H,24,29);4-5,10-11H,6-9,12H2,1-3H3,(H,23,28).
What are the key properties of 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide?
3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide has a molecular weight of 4386.67 g/mol, XLogP of 33.21, 40 rotatable bonds, 14 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-7-yl)-8-(dimethylamino)-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)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-thiophen-2-yl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[4-methyl-6-(3-oxopiperazin-1-yl)-3-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methyl-6-pyridin-2-yl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-methylsulfonyl-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-8-thiophen-2-yl-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;8-(dimethylamino)-3-[2-(2-oxo-1,3-dihydroindol-4-yl)pyrimidin-5-yl]-8-thiophen-2-yl-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-carboxamide is sourced from PubChem (CID 159549136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).