8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

C236H286F5N47O19S2 — CID 160522854

IUPAC8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCc3ccccc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C28H33N5O.C26H32N6O2.C24H32N6O3S.C24H32N6O3.C23H24F2N4O.C23H25FN4O.C23H28FN3O3S.C23H28N4O2.C21H25FN4O.C21H27N5O2/c1-32(2)28(23-11-7-4-8-12-23)17-15-27(16-18-28)21-33(26(34)31-27)24-19-29-25(30-20-24)14-13-22-9-5-3-6-10-22;1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22;1-25(2)21(16-7-5-4-6-8-16)11-9-20(10-12-21)15-26(19(27)24-20)17-13-22-18(28-3)23-14-17/h3-12,19-20H,13-18,21H2,1-2H3,(H,31,34);3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);3-7,12-13H,8-11,15H2,1-2H3,(H,27,30);3-9,14H,10-13,16H2,1-2H3,(H,26,29);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyQUMVXUYHXOKABD-UHFFFAOYSA-N
MW4244.32 g/mol
LogP32.55
Rot. Bonds41

About 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 160522854) has the molecular formula C236H286F5N47O19S2 and a molecular weight of 4244.32 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
PubChem CID160522854
Molecular FormulaC236H286F5N47O19S2
Molecular Weight4244.32 g/mol
Exact Mass4241.22
IUPAC Name8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCc3ccccc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1
InChIInChI=1S/C28H33N5O.C26H32N6O2.C24H32N6O3S.C24H32N6O3.C23H24F2N4O.C23H25FN4O.C23H28FN3O3S.C23H28N4O2.C21H25FN4O.C21H27N5O2/c1-32(2)28(23-11-7-4-8-12-23)17-15-27(16-18-28)21-33(26(34)31-27)24-19-29-25(30-20-24)14-13-22-9-5-3-6-10-22;1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22;1-25(2)21(16-7-5-4-6-8-16)11-9-20(10-12-21)15-26(19(27)24-20)17-13-22-18(28-3)23-14-17/h3-12,19-20H,13-18,21H2,1-2H3,(H,31,34);3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);3-7,12-13H,8-11,15H2,1-2H3,(H,27,30);3-9,14H,10-13,16H2,1-2H3,(H,26,29);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27)
InChIKeyQUMVXUYHXOKABD-UHFFFAOYSA-N
XLogP32.55
TPSA732.92 Ų
H-Bond Donors12
H-Bond Acceptors44
Rotatable Bonds41
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004244.32
LogP ≤ 532.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1044

Analyze 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one (CID 160522854) is 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1c(F)cc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(S(C)(=O)=O)cc1F)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(CCc3ccccc3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCOCC3)cc1C#N)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCS(=O)(=O)CC3)nc1)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnccc1F)C(=O)N2.CN(CCO)C(=O)c1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.COc1ncc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cn1.
What is the InChIKey of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is QUMVXUYHXOKABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O.C26H32N6O2.C24H32N6O3S.C24H32N6O3.C23H24F2N4O.C23H25FN4O.C23H28FN3O3S.C23H28N4O2.C21H25FN4O.C21H27N5O2/c1-32(2)28(23-11-7-4-8-12-23)17-15-27(16-18-28)21-33(26(34)31-27)24-19-29-25(30-20-24)14-13-22-9-5-3-6-10-22;1-30(2)26(21-6-4-3-5-7-21)10-8-25(9-11-26)19-32(24(33)29-25)22-18-28-23(16-20(22)17-27)31-12-14-34-15-13-31;1-28(2)24(19-6-4-3-5-7-19)10-8-23(9-11-24)18-30(22(31)27-23)20-16-25-21(26-17-20)29-12-14-34(32,33)15-13-29;1-28(2)24(18-7-5-4-6-8-18)11-9-23(10-12-24)17-30(22(33)27-23)19-15-25-20(26-16-19)21(32)29(3)13-14-31;1-28(2)23(17-6-4-3-5-7-17)10-8-22(9-11-23)15-29(21(30)27-22)20-18(24)12-16(14-26)13-19(20)25;1-27(2)23(18-6-4-3-5-7-18)12-10-22(11-13-23)16-28(21(29)26-22)20-9-8-17(15-25)14-19(20)24;1-26(2)23(17-7-5-4-6-8-17)13-11-22(12-14-23)16-27(21(28)25-22)20-10-9-18(15-19(20)24)31(3,29)30;1-26(2)23(18-6-4-3-5-7-18)14-12-22(13-15-23)16-27(21(29)25-22)19-10-8-17(9-11-19)20(24)28;1-25(2)21(16-6-4-3-5-7-16)11-9-20(10-12-21)15-26(19(27)24-20)18-14-23-13-8-17(18)22;1-25(2)21(16-7-5-4-6-8-16)11-9-20(10-12-21)15-26(19(27)24-20)17-13-22-18(28-3)23-14-17/h3-12,19-20H,13-18,21H2,1-2H3,(H,31,34);3-7,16,18H,8-15,19H2,1-2H3,(H,29,33);3-7,16-17H,8-15,18H2,1-2H3,(H,27,31);4-8,15-16,31H,9-14,17H2,1-3H3,(H,27,33);3-7,12-13H,8-11,15H2,1-2H3,(H,27,30);3-9,14H,10-13,16H2,1-2H3,(H,26,29);4-10,15H,11-14,16H2,1-3H3,(H,25,28);3-11H,12-16H2,1-2H3,(H2,24,28)(H,25,29);3-8,13-14H,9-12,15H2,1-2H3,(H,24,27);4-8,13-14H,9-12,15H2,1-3H3,(H,24,27).
What are the key properties of 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 4244.32 g/mol, XLogP of 32.55, 41 rotatable bonds, 12 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-fluoro-4-methylsulfonylphenyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(4-fluoro-3-pyridinyl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-methoxypyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3,5-difluorobenzonitrile;4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-3-fluorobenzonitrile;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-hydroxyethyl)-N-methylpyrimidine-2-carboxamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-2-morpholin-4-ylpyridine-4-carbonitrile;8-(dimethylamino)-8-phenyl-3-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160522854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).